2-(cycloheptylmethylidene)butan-1-ol

C12H22O — CID 79335200

IUPAC2-(cycloheptylmethylidene)butan-1-ol
SMILESCCC(=CC1CCCCCC1)CO
InChIInChI=1S/C12H22O/c1-2-11(10-13)9-12-7-5-3-4-6-8-12/h9,12-13H,2-8,10H2,1H3
InChIKeyWDHROWIRXPSREZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.29
Rot. Bonds3

About 2-(cycloheptylmethylidene)butan-1-ol

2-(cycloheptylmethylidene)butan-1-ol (PubChem CID 79335200) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(cycloheptylmethylidene)butan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylmethylidene)butan-1-ol
PubChem CID79335200
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(cycloheptylmethylidene)butan-1-ol
SMILESCCC(=CC1CCCCCC1)CO
InChIInChI=1S/C12H22O/c1-2-11(10-13)9-12-7-5-3-4-6-8-12/h9,12-13H,2-8,10H2,1H3
InChIKeyWDHROWIRXPSREZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.29
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 2-(cycloheptylmethylidene)butan-1-ol?
The IUPAC name of 2-(cycloheptylmethylidene)butan-1-ol (CID 79335200) is 2-(cycloheptylmethylidene)butan-1-ol.
What is the SMILES notation for 2-(cycloheptylmethylidene)butan-1-ol?
The canonical SMILES for 2-(cycloheptylmethylidene)butan-1-ol is CCC(=CC1CCCCCC1)CO.
What is the InChIKey of 2-(cycloheptylmethylidene)butan-1-ol?
The InChIKey is WDHROWIRXPSREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-11(10-13)9-12-7-5-3-4-6-8-12/h9,12-13H,2-8,10H2,1H3.
What are the key properties of 2-(cycloheptylmethylidene)butan-1-ol?
2-(cycloheptylmethylidene)butan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethylidene)butan-1-ol is sourced from PubChem (CID 79335200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).