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

C26H42 — CID 59431504

IUPAC1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
SMILESC/C=C/C1CCC(/C=C/C2CCC(C3CCC(/C=C/C)CC3)CC2)CC1
InChIInChI=1S/C26H42/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h3-6,11-12,21-26H,7-10,13-20H2,1-2H3/b5-3+,6-4+,12-11+
InChIKeySGWCJKDJCQCZRU-FGEFXVFKSA-N
MW354.62 g/mol
LogP8.11
Rot. Bonds5

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

1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane (PubChem CID 59431504) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
PubChem CID59431504
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
SMILESC/C=C/C1CCC(/C=C/C2CCC(C3CCC(/C=C/C)CC3)CC2)CC1
InChIInChI=1S/C26H42/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h3-6,11-12,21-26H,7-10,13-20H2,1-2H3/b5-3+,6-4+,12-11+
InChIKeySGWCJKDJCQCZRU-FGEFXVFKSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.11
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-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane (CID 59431504) is 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane is C/C=C/C1CCC(/C=C/C2CCC(C3CCC(/C=C/C)CC3)CC2)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane?
The InChIKey is SGWCJKDJCQCZRU-FGEFXVFKSA-N. The full InChI is InChI=1S/C26H42/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h3-6,11-12,21-26H,7-10,13-20H2,1-2H3/b5-3+,6-4+,12-11+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane?
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane has a molecular weight of 354.62 g/mol, XLogP of 8.11, 5 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-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 59431504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).