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

C20H36 — CID 140650646

IUPAC1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(/C=C/CCCCCCC)CC1
InChIInChI=1S/C20H36/c1-3-5-7-8-9-10-12-14-20-17-15-19(16-18-20)13-11-6-4-2/h4,6,12,14,19-20H,3,5,7-11,13,15-18H2,1-2H3/b6-4+,14-12+
InChIKeyBFYXGKPHNLOBFR-LZUOLKHISA-N
MW276.51 g/mol
LogP7.07
Rot. Bonds10

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

1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane (PubChem CID 140650646) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
PubChem CID140650646
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(/C=C/CCCCCCC)CC1
InChIInChI=1S/C20H36/c1-3-5-7-8-9-10-12-14-20-17-15-19(16-18-20)13-11-6-4-2/h4,6,12,14,19-20H,3,5,7-11,13,15-18H2,1-2H3/b6-4+,14-12+
InChIKeyBFYXGKPHNLOBFR-LZUOLKHISA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.07
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-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
CID 159199082
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 158217537
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane
CID 159275982
1,4-bis[(E)-pent-3-enyl]cyclohexane;1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hex-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-non-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-oct-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
CID 158654378
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane?
The IUPAC name of 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane (CID 140650646) is 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane?
The canonical SMILES for 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane is C/C=C/CCC1CCC(/C=C/CCCCCCC)CC1.
What is the InChIKey of 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane?
The InChIKey is BFYXGKPHNLOBFR-LZUOLKHISA-N. The full InChI is InChI=1S/C20H36/c1-3-5-7-8-9-10-12-14-20-17-15-19(16-18-20)13-11-6-4-2/h4,6,12,14,19-20H,3,5,7-11,13,15-18H2,1-2H3/b6-4+,14-12+.
What are the key properties of 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane?
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane has a molecular weight of 276.51 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane is sourced from PubChem (CID 140650646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).