1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane

C28H48 — CID 142281934

IUPAC1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
SMILESC=C(C)C1CCC(/C=C/C2CCC(C3CCC(CCCCC)CC3)CC2)CC1
InChIInChI=1S/C28H48/c1-4-5-6-7-23-12-18-27(19-13-23)28-20-14-25(15-21-28)9-8-24-10-16-26(17-11-24)22(2)3/h8-9,23-28H,2,4-7,10-21H2,1,3H3/b9-8+
InChIKeyYABVUJJOYMSDFB-CMDGGOBGSA-N
MW384.69 g/mol
LogP9.12
Rot. Bonds8

About 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane

1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane (PubChem CID 142281934) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
PubChem CID142281934
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
SMILESC=C(C)C1CCC(/C=C/C2CCC(C3CCC(CCCCC)CC3)CC2)CC1
InChIInChI=1S/C28H48/c1-4-5-6-7-23-12-18-27(19-13-23)28-20-14-25(15-21-28)9-8-24-10-16-26(17-11-24)22(2)3/h8-9,23-28H,2,4-7,10-21H2,1,3H3/b9-8+
InChIKeyYABVUJJOYMSDFB-CMDGGOBGSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
(E)-2-methyl-6-[4-(4-pentylcyclohexyl)cyclohexyl]hex-5-en-3-yn-2-ol
CID 20638161
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-(3-methoxyprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54047469
5-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxane
CID 123480399
2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840292
(E)-2-fluoro-3-[4-(4-heptylcyclohexyl)cyclohexyl]prop-2-enenitrile
CID 19613343

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane (CID 142281934) is 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane is C=C(C)C1CCC(/C=C/C2CCC(C3CCC(CCCCC)CC3)CC2)CC1.
What is the InChIKey of 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane?
The InChIKey is YABVUJJOYMSDFB-CMDGGOBGSA-N. The full InChI is InChI=1S/C28H48/c1-4-5-6-7-23-12-18-27(19-13-23)28-20-14-25(15-21-28)9-8-24-10-16-26(17-11-24)22(2)3/h8-9,23-28H,2,4-7,10-21H2,1,3H3/b9-8+.
What are the key properties of 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane?
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane has a molecular weight of 384.69 g/mol, XLogP of 9.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 142281934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).