3-methylbicyclo[3.1.1]heptan-1-ol

C8H14O — CID 67034776

IUPAC3-methylbicyclo[3.1.1]heptan-1-ol
SMILESCC1CC2CC(O)(C1)C2
InChIInChI=1S/C8H14O/c1-6-2-7-4-8(9,3-6)5-7/h6-7,9H,2-5H2,1H3
InChIKeyIEHBXWSWKXDCOO-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

About 3-methylbicyclo[3.1.1]heptan-1-ol

3-methylbicyclo[3.1.1]heptan-1-ol (PubChem CID 67034776) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methylbicyclo[3.1.1]heptan-1-ol.

Molecular Properties

Compound Name3-methylbicyclo[3.1.1]heptan-1-ol
PubChem CID67034776
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methylbicyclo[3.1.1]heptan-1-ol
SMILESCC1CC2CC(O)(C1)C2
InChIInChI=1S/C8H14O/c1-6-2-7-4-8(9,3-6)5-7/h6-7,9H,2-5H2,1H3
InChIKeyIEHBXWSWKXDCOO-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

adamantan-1-ol;azane
CID 66728775
5-methyltricyclo[5.2.1.03,9]decan-7-ol
CID 89023602
acetaldehyde;adamantan-1-ol
CID 175101814
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 175729322
4-(2-methylpropyl)adamantane-1,4-diol
CID 139814602
1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 91108760
3,6,12-trimethyltricyclo[6.2.2.04,9]dodecan-1-ol
CID 143329110
4-propyladamantane-1,4-diol
CID 139814586
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
3-tert-butyladamantan-1-ol
CID 59863856
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.1.1]heptan-1-ol?
The IUPAC name of 3-methylbicyclo[3.1.1]heptan-1-ol (CID 67034776) is 3-methylbicyclo[3.1.1]heptan-1-ol.
What is the SMILES notation for 3-methylbicyclo[3.1.1]heptan-1-ol?
The canonical SMILES for 3-methylbicyclo[3.1.1]heptan-1-ol is CC1CC2CC(O)(C1)C2.
What is the InChIKey of 3-methylbicyclo[3.1.1]heptan-1-ol?
The InChIKey is IEHBXWSWKXDCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-2-7-4-8(9,3-6)5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-methylbicyclo[3.1.1]heptan-1-ol?
3-methylbicyclo[3.1.1]heptan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.1.1]heptan-1-ol is sourced from PubChem (CID 67034776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).