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Chemical ID: 4256674

Chemical ID:

4256674

Name [?]:

2-[[4-(1-adamantyl)phenoxy]methyl]oxirane

SMILES [?]:

c1cc(ccc1C23CC4CC(C2)CC(C4)C3)OCC5CO5

InChi [?]:

InChI=1/C19H24O2/c1-3-17(20-11-18-12-21-18)4-2-16(1)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15,18H,5-12H2

InChi Info:

AuxInfo=1/0/N:1,5,2,4,10,13,15,12,8,16,18,20,11,9,14,6,3,19,7,17,21/E:(1,2)(3,4)(5,6,7)(8,9,10)(13,14,15)/rA:21cCCCCCCCCCCCCCCCCOCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s11;s13;s9s14;s7s14;s3;s17;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	7.97577
Area:	468.504
Solvation:	-3.73684
Coulombic:	-17.7534

Bond Count [?]

All:	25
Single:	22
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	284.393
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.55
LogP (Chemaxon):	3.82

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value