3-methylbicyclo[3.3.3]undecan-3-ol

C12H22O — CID 18336100

IUPAC3-methylbicyclo[3.3.3]undecan-3-ol
SMILESCC1(O)CC2CCCC(CCC2)C1
InChIInChI=1S/C12H22O/c1-12(13)8-10-4-2-5-11(9-12)7-3-6-10/h10-11,13H,2-9H2,1H3
InChIKeyCCMPGFZMBGVNMP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds

About 3-methylbicyclo[3.3.3]undecan-3-ol

3-methylbicyclo[3.3.3]undecan-3-ol (PubChem CID 18336100) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methylbicyclo[3.3.3]undecan-3-ol.

Molecular Properties

Compound Name3-methylbicyclo[3.3.3]undecan-3-ol
PubChem CID18336100
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-methylbicyclo[3.3.3]undecan-3-ol
SMILESCC1(O)CC2CCCC(CCC2)C1
InChIInChI=1S/C12H22O/c1-12(13)8-10-4-2-5-11(9-12)7-3-6-10/h10-11,13H,2-9H2,1H3
InChIKeyCCMPGFZMBGVNMP-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
CID 130311004
7-amino-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 123493909
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893342
bicyclo[4.2.1]nonane-1,2-diol;methane
CID 87199074
1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
bicyclo[5.3.1]undecan-1-ol
CID 14867023
1-cyclobutyl-2,2-dimethylcyclobutan-1-ol
CID 130554912
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.3.3]undecan-3-ol?
The IUPAC name of 3-methylbicyclo[3.3.3]undecan-3-ol (CID 18336100) is 3-methylbicyclo[3.3.3]undecan-3-ol.
What is the SMILES notation for 3-methylbicyclo[3.3.3]undecan-3-ol?
The canonical SMILES for 3-methylbicyclo[3.3.3]undecan-3-ol is CC1(O)CC2CCCC(CCC2)C1.
What is the InChIKey of 3-methylbicyclo[3.3.3]undecan-3-ol?
The InChIKey is CCMPGFZMBGVNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(13)8-10-4-2-5-11(9-12)7-3-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-methylbicyclo[3.3.3]undecan-3-ol?
3-methylbicyclo[3.3.3]undecan-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.3.3]undecan-3-ol is sourced from PubChem (CID 18336100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).