3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol

C11H20O — CID 168807164

IUPAC3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
SMILESCC1(CCCO)CC2CCC1C2
InChIInChI=1S/C11H20O/c1-11(5-2-6-12)8-9-3-4-10(11)7-9/h9-10,12H,2-8H2,1H3
InChIKeyCNGBBSLHCGLNQP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds3

About 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol

3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol (PubChem CID 168807164) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
PubChem CID168807164
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
SMILESCC1(CCCO)CC2CCC1C2
InChIInChI=1S/C11H20O/c1-11(5-2-6-12)8-9-3-4-10(11)7-9/h9-10,12H,2-8H2,1H3
InChIKeyCNGBBSLHCGLNQP-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The IUPAC name of 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol (CID 168807164) is 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol is CC1(CCCO)CC2CCC1C2.
What is the InChIKey of 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The InChIKey is CNGBBSLHCGLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(5-2-6-12)8-9-3-4-10(11)7-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol is sourced from PubChem (CID 168807164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).