ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5610916

Chemical ID:

5610916

Name [?]:

2,6,6-trimethyl-9-methylene-bicyclo[3.3.1]nonane-2,3-diol

SMILES [?]:

CC1(CCC2C(=C)C1CC(C2(C)O)O)C

InChi [?]:

InChI=1/C13H22O2/c1-8-9-5-6-12(2,3)10(8)7-11(14)13(9,4)15/h9-11,14-15H,1,5-7H2,2-4H3

InChi Info:

AuxInfo=1/0/N:7,1,15,12,4,3,9,6,5,8,10,2,11,14,13/E:(2,3)/rA:15cCCCCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s2s6;s8;s9;s5s10;s11;s11;s10;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₂O₂
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	4

ZAP Information [?]

Total:	5.72861
Area:	353.839
Solvation:	-3.11736
Coulombic:	-34.7762

Bond Count [?]

All:	16
Single:	15
Double:	1
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	210.313
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.66
LogP (Chemaxon):	1.96

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