1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane

C21H40 — CID 158214961

IUPAC1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
SMILESC.C.CC=CC1CCC(C2CCC(C=CCC)CC2)CC1
InChIInChI=1S/C19H32.2CH4/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;;/h4-7,16-19H,3,8-15H2,1-2H3;2*1H4
InChIKeyGCNPTTXNDYHCFZ-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.41
Rot. Bonds4

About 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane

1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane (PubChem CID 158214961) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane.

Molecular Properties

Compound Name1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
PubChem CID158214961
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
SMILESC.C.CC=CC1CCC(C2CCC(C=CCC)CC2)CC1
InChIInChI=1S/C19H32.2CH4/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;;/h4-7,16-19H,3,8-15H2,1-2H3;2*1H4
InChIKeyGCNPTTXNDYHCFZ-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane?
The IUPAC name of 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane (CID 158214961) is 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane.
What is the SMILES notation for 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane?
The canonical SMILES for 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane is C.C.CC=CC1CCC(C2CCC(C=CCC)CC2)CC1.
What is the InChIKey of 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane?
The InChIKey is GCNPTTXNDYHCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32.2CH4/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;;/h4-7,16-19H,3,8-15H2,1-2H3;2*1H4.
What are the key properties of 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane?
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane has a molecular weight of 292.55 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane is sourced from PubChem (CID 158214961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).