1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol

C13H20O — CID 11480963

IUPAC1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol
SMILESC=CC(O)CC1(C=C)CCC(=C)CC1
InChIInChI=1S/C13H20O/c1-4-12(14)10-13(5-2)8-6-11(3)7-9-13/h4-5,12,14H,1-3,6-10H2
InChIKeyFPCYKXPQCFQPOZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.23
Rot. Bonds4

About 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol

1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol (PubChem CID 11480963) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol.

Molecular Properties

Compound Name1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol
PubChem CID11480963
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol
SMILESC=CC(O)CC1(C=C)CCC(=C)CC1
InChIInChI=1S/C13H20O/c1-4-12(14)10-13(5-2)8-6-11(3)7-9-13/h4-5,12,14H,1-3,6-10H2
InChIKeyFPCYKXPQCFQPOZ-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.23
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 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol?
The IUPAC name of 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol (CID 11480963) is 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol.
What is the SMILES notation for 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol?
The canonical SMILES for 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol is C=CC(O)CC1(C=C)CCC(=C)CC1.
What is the InChIKey of 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol?
The InChIKey is FPCYKXPQCFQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-12(14)10-13(5-2)8-6-11(3)7-9-13/h4-5,12,14H,1-3,6-10H2.
What are the key properties of 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol?
1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenyl-4-methylidenecyclohexyl)but-3-en-2-ol is sourced from PubChem (CID 11480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).