1-(1-methylcyclohexyl)pent-1-en-1-olate

C12H21O- — CID 91136605

IUPAC1-(1-methylcyclohexyl)pent-1-en-1-olate
SMILESCCCC=C([O-])C1(C)CCCCC1
InChIInChI=1S/C12H22O/c1-3-4-8-11(13)12(2)9-6-5-7-10-12/h8,13H,3-7,9-10H2,1-2H3/p-1
InChIKeyXLZCLCOYWQYJSO-UHFFFAOYSA-M
MW181.30 g/mol
LogP3.00
Rot. Bonds3

About 1-(1-methylcyclohexyl)pent-1-en-1-olate

1-(1-methylcyclohexyl)pent-1-en-1-olate (PubChem CID 91136605) has the molecular formula C12H21O- and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)pent-1-en-1-olate.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)pent-1-en-1-olate
PubChem CID91136605
Molecular FormulaC12H21O-
Molecular Weight181.30 g/mol
Exact Mass181.16
IUPAC Name1-(1-methylcyclohexyl)pent-1-en-1-olate
SMILESCCCC=C([O-])C1(C)CCCCC1
InChIInChI=1S/C12H22O/c1-3-4-8-11(13)12(2)9-6-5-7-10-12/h8,13H,3-7,9-10H2,1-2H3/p-1
InChIKeyXLZCLCOYWQYJSO-UHFFFAOYSA-M
XLogP3.00
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)pent-1-en-1-olate?
The IUPAC name of 1-(1-methylcyclohexyl)pent-1-en-1-olate (CID 91136605) is 1-(1-methylcyclohexyl)pent-1-en-1-olate.
What is the SMILES notation for 1-(1-methylcyclohexyl)pent-1-en-1-olate?
The canonical SMILES for 1-(1-methylcyclohexyl)pent-1-en-1-olate is CCCC=C([O-])C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)pent-1-en-1-olate?
The InChIKey is XLZCLCOYWQYJSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H22O/c1-3-4-8-11(13)12(2)9-6-5-7-10-12/h8,13H,3-7,9-10H2,1-2H3/p-1.
What are the key properties of 1-(1-methylcyclohexyl)pent-1-en-1-olate?
1-(1-methylcyclohexyl)pent-1-en-1-olate has a molecular weight of 181.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)pent-1-en-1-olate is sourced from PubChem (CID 91136605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).