1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane

C19H34 — CID 125478995

IUPAC1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/CCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h3,5,16-19H,4,6-15H2,1-2H3/b5-3+
InChIKeyMSCUDQBNQDNYRC-HWKANZROSA-N
MW262.48 g/mol
LogP6.37
Rot. Bonds5

About 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane

1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (PubChem CID 125478995) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
PubChem CID125478995
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/CCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h3,5,16-19H,4,6-15H2,1-2H3/b5-3+
InChIKeyMSCUDQBNQDNYRC-HWKANZROSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.37
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-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (CID 125478995) is 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is C/C=C/CCC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The InChIKey is MSCUDQBNQDNYRC-HWKANZROSA-N. The full InChI is InChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h3,5,16-19H,4,6-15H2,1-2H3/b5-3+.
What are the key properties of 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane has a molecular weight of 262.48 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 125478995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).