[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol

C13H24O2 — CID 139437917

IUPAC[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
SMILESCC1(CO)CC2CC(C1)CC(C)(CO)C2
InChIInChI=1S/C13H24O2/c1-12(8-14)4-10-3-11(5-12)7-13(2,6-10)9-15/h10-11,14-15H,3-9H2,1-2H3
InChIKeyGGBIKKZRTDSTJZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.19
Rot. Bonds2

About [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol

[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol (PubChem CID 139437917) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol.

Molecular Properties

Compound Name[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
PubChem CID139437917
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
SMILESCC1(CO)CC2CC(C1)CC(C)(CO)C2
InChIInChI=1S/C13H24O2/c1-12(8-14)4-10-3-11(5-12)7-13(2,6-10)9-15/h10-11,14-15H,3-9H2,1-2H3
InChIKeyGGBIKKZRTDSTJZ-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol?
The IUPAC name of [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol (CID 139437917) is [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol.
What is the SMILES notation for [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol?
The canonical SMILES for [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol is CC1(CO)CC2CC(C1)CC(C)(CO)C2.
What is the InChIKey of [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol?
The InChIKey is GGBIKKZRTDSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(8-14)4-10-3-11(5-12)7-13(2,6-10)9-15/h10-11,14-15H,3-9H2,1-2H3.
What are the key properties of [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol?
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol has a molecular weight of 212.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol is sourced from PubChem (CID 139437917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).