1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane

C21H36 — CID 173282061

IUPAC1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
SMILESCC=CC1CCC(CC/C=C/C2CCC(CC)CC2)CC1
InChIInChI=1S/C21H36/c1-3-7-19-14-16-21(17-15-19)9-6-5-8-20-12-10-18(4-2)11-13-20/h3,5,7-8,18-21H,4,6,9-17H2,1-2H3/b7-3?,8-5+
InChIKeyCVLPLQZWRWWFLT-UYZILBNMSA-N
MW288.52 g/mol
LogP6.92
Rot. Bonds6

About 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane

1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane (PubChem CID 173282061) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
PubChem CID173282061
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
SMILESCC=CC1CCC(CC/C=C/C2CCC(CC)CC2)CC1
InChIInChI=1S/C21H36/c1-3-7-19-14-16-21(17-15-19)9-6-5-8-20-12-10-18(4-2)11-13-20/h3,5,7-8,18-21H,4,6,9-17H2,1-2H3/b7-3?,8-5+
InChIKeyCVLPLQZWRWWFLT-UYZILBNMSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
CID 139753585
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane (CID 173282061) is 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane is CC=CC1CCC(CC/C=C/C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane?
The InChIKey is CVLPLQZWRWWFLT-UYZILBNMSA-N. The full InChI is InChI=1S/C21H36/c1-3-7-19-14-16-21(17-15-19)9-6-5-8-20-12-10-18(4-2)11-13-20/h3,5,7-8,18-21H,4,6,9-17H2,1-2H3/b7-3?,8-5+.
What are the key properties of 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane?
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane has a molecular weight of 288.52 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane is sourced from PubChem (CID 173282061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).