1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

C18H32 — CID 22290094

IUPAC1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+
InChIKeyIASLDLGGHXYCEO-HWKANZROSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds4

About 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 22290094) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID22290094
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+
InChIKeyIASLDLGGHXYCEO-HWKANZROSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
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-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (CID 22290094) is 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is IASLDLGGHXYCEO-HWKANZROSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 22290094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).