1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane

C29H48 — CID 139753585

IUPAC1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
SMILESC=C(C1CCC(CC)CC1)C1CCCCC1/C=C/CCC1CCC(/C=C/C)CC1
InChIInChI=1S/C29H48/c1-4-10-25-15-17-26(18-16-25)11-6-7-12-28-13-8-9-14-29(28)23(3)27-21-19-24(5-2)20-22-27/h4,7,10,12,24-29H,3,5-6,8-9,11,13-22H2,1-2H3/b10-4+,12-7+
InChIKeyFUUVSZZRVXSKBY-CMLRWQBOSA-N
MW396.70 g/mol
LogP9.28
Rot. Bonds8

About 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane

1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane (PubChem CID 139753585) has the molecular formula C29H48 and a molecular weight of 396.70 g/mol. Its IUPAC name is 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
PubChem CID139753585
Molecular FormulaC29H48
Molecular Weight396.70 g/mol
Exact Mass396.38
IUPAC Name1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
SMILESC=C(C1CCC(CC)CC1)C1CCCCC1/C=C/CCC1CCC(/C=C/C)CC1
InChIInChI=1S/C29H48/c1-4-10-25-15-17-26(18-16-25)11-6-7-12-28-13-8-9-14-29(28)23(3)27-21-19-24(5-2)20-22-27/h4,7,10,12,24-29H,3,5-6,8-9,11,13-22H2,1-2H3/b10-4+,12-7+
InChIKeyFUUVSZZRVXSKBY-CMLRWQBOSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane with MolForge

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Related Compounds

1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
CID 139753577
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
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-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-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
CID 173281898
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-but-3-enyl-4-[(E)-4-[2-[1-(1-ethylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
CID 173281887

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane (CID 139753585) is 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane is C=C(C1CCC(CC)CC1)C1CCCCC1/C=C/CCC1CCC(/C=C/C)CC1.
What is the InChIKey of 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
The InChIKey is FUUVSZZRVXSKBY-CMLRWQBOSA-N. The full InChI is InChI=1S/C29H48/c1-4-10-25-15-17-26(18-16-25)11-6-7-12-28-13-8-9-14-29(28)23(3)27-21-19-24(5-2)20-22-27/h4,7,10,12,24-29H,3,5-6,8-9,11,13-22H2,1-2H3/b10-4+,12-7+.
What are the key properties of 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane has a molecular weight of 396.70 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 139753585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).