2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol

C12H22O2 — CID 123715337

IUPAC2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC2CC(C)C(O)(CO)C(C1)C2
InChIInChI=1S/C12H22O2/c1-8-3-10-5-9(2)12(14,7-13)11(4-8)6-10/h8-11,13-14H,3-7H2,1-2H3
InChIKeyKSRAYNLHKXPZGJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.80
Rot. Bonds1

About 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol

2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol (PubChem CID 123715337) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol
PubChem CID123715337
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC2CC(C)C(O)(CO)C(C1)C2
InChIInChI=1S/C12H22O2/c1-8-3-10-5-9(2)12(14,7-13)11(4-8)6-10/h8-11,13-14H,3-7H2,1-2H3
InChIKeyKSRAYNLHKXPZGJ-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol
CID 138625675
2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane
CID 143348770
2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane
CID 163770870
CID 155349004
CID 155349004
2-(3-hydroxypropyl)adamantan-2-ol
CID 14913337
CID 177036023
CID 177036023
CID 143649805
CID 143649805
ethyl 4-hydroxy-4-[(2-hydroxy-3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)peroxy]cyclohexane-1-carboxylate
CID 155348994
2-ethynyl-7-methylbicyclo[3.3.1]nonan-2-ol
CID 123784638
CID 174061588
CID 174061588
2-[(propan-2-ylamino)methyl]adamantan-2-ol
CID 62774121
2-octyladamantan-2-ol
CID 22603447

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol?
The IUPAC name of 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol (CID 123715337) is 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol is CC1CC2CC(C)C(O)(CO)C(C1)C2.
What is the InChIKey of 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol?
The InChIKey is KSRAYNLHKXPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8-3-10-5-9(2)12(14,7-13)11(4-8)6-10/h8-11,13-14H,3-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol?
2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 123715337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).