3-methylbicyclo[3.3.1]non-4-en-2-ol

C10H16O — CID 123346760

IUPAC3-methylbicyclo[3.3.1]non-4-en-2-ol
SMILESCC1C=C2CCCC(C2)C1O
InChIInChI=1S/C10H16O/c1-7-5-8-3-2-4-9(6-8)10(7)11/h5,7,9-11H,2-4,6H2,1H3
InChIKeyNUEDVHFDTMOCAQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About 3-methylbicyclo[3.3.1]non-4-en-2-ol

3-methylbicyclo[3.3.1]non-4-en-2-ol (PubChem CID 123346760) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methylbicyclo[3.3.1]non-4-en-2-ol.

Molecular Properties

Compound Name3-methylbicyclo[3.3.1]non-4-en-2-ol
PubChem CID123346760
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methylbicyclo[3.3.1]non-4-en-2-ol
SMILESCC1C=C2CCCC(C2)C1O
InChIInChI=1S/C10H16O/c1-7-5-8-3-2-4-9(6-8)10(7)11/h5,7,9-11H,2-4,6H2,1H3
InChIKeyNUEDVHFDTMOCAQ-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.3.1]non-4-en-2-ol?
The IUPAC name of 3-methylbicyclo[3.3.1]non-4-en-2-ol (CID 123346760) is 3-methylbicyclo[3.3.1]non-4-en-2-ol.
What is the SMILES notation for 3-methylbicyclo[3.3.1]non-4-en-2-ol?
The canonical SMILES for 3-methylbicyclo[3.3.1]non-4-en-2-ol is CC1C=C2CCCC(C2)C1O.
What is the InChIKey of 3-methylbicyclo[3.3.1]non-4-en-2-ol?
The InChIKey is NUEDVHFDTMOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-8-3-2-4-9(6-8)10(7)11/h5,7,9-11H,2-4,6H2,1H3.
What are the key properties of 3-methylbicyclo[3.3.1]non-4-en-2-ol?
3-methylbicyclo[3.3.1]non-4-en-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.3.1]non-4-en-2-ol is sourced from PubChem (CID 123346760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).