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Chemical ID: 6693800

Chemical ID:

6693800

Name [?]:

3-(hydroxymethyl)-5-methoxy-8,8-dimethyl-4,7,9-trioxabicyclo[4.3.0]nonan-2-ol

SMILES [?]:

CC1(OC2C(C(OC(C2O1)OC)CO)O)C

InChi [?]:

InChI=1/C10H18O6/c1-10(2)15-7-6(12)5(4-11)14-9(13-3)8(7)16-10/h5-9,11-12H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,12,13,6,5,4,9,8,2,14,15,11,7,3,10/E:(1,2)/rA:16cCCOCCCOCCOOCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s8;s11;s6;s13;s5;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₈O₆
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	5

ZAP Information [?]

Total:	1.78262
Area:	394.642
Solvation:	-8.08343
Coulombic:	-65.8771

Bond Count [?]

All:	17
Single:	17
Double:	0
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	234.246
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	-0.62
LogP (Chemaxon):	-0.1

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value