2-(4-butyl-2-methylcyclopentylidene)ethanol

C12H22O — CID 123139108

IUPAC2-(4-butyl-2-methylcyclopentylidene)ethanol
SMILESCCCCC1CC(=CCO)C(C)C1
InChIInChI=1S/C12H22O/c1-3-4-5-11-8-10(2)12(9-11)6-7-13/h6,10-11,13H,3-5,7-9H2,1-2H3
InChIKeyCHKYWVKQSVHXAY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-butyl-2-methylcyclopentylidene)ethanol

2-(4-butyl-2-methylcyclopentylidene)ethanol (PubChem CID 123139108) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(4-butyl-2-methylcyclopentylidene)ethanol.

Molecular Properties

Compound Name2-(4-butyl-2-methylcyclopentylidene)ethanol
PubChem CID123139108
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(4-butyl-2-methylcyclopentylidene)ethanol
SMILESCCCCC1CC(=CCO)C(C)C1
InChIInChI=1S/C12H22O/c1-3-4-5-11-8-10(2)12(9-11)6-7-13/h6,10-11,13H,3-5,7-9H2,1-2H3
InChIKeyCHKYWVKQSVHXAY-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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-(4-butyl-2-methylcyclopentylidene)ethanol?
The IUPAC name of 2-(4-butyl-2-methylcyclopentylidene)ethanol (CID 123139108) is 2-(4-butyl-2-methylcyclopentylidene)ethanol.
What is the SMILES notation for 2-(4-butyl-2-methylcyclopentylidene)ethanol?
The canonical SMILES for 2-(4-butyl-2-methylcyclopentylidene)ethanol is CCCCC1CC(=CCO)C(C)C1.
What is the InChIKey of 2-(4-butyl-2-methylcyclopentylidene)ethanol?
The InChIKey is CHKYWVKQSVHXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-11-8-10(2)12(9-11)6-7-13/h6,10-11,13H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(4-butyl-2-methylcyclopentylidene)ethanol?
2-(4-butyl-2-methylcyclopentylidene)ethanol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-methylcyclopentylidene)ethanol is sourced from PubChem (CID 123139108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).