1-non-3-enyl-4-prop-1-enylcyclohexane

C18H32 — CID 123968866

IUPAC1-non-3-enyl-4-prop-1-enylcyclohexane
SMILESCC=CC1CCC(CCC=CCCCCC)CC1
InChIInChI=1S/C18H32/c1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18/h4,8-9,11,17-18H,3,5-7,10,12-16H2,1-2H3
InChIKeyLNMSBLCJTTWOOU-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.29
Rot. Bonds8

About 1-non-3-enyl-4-prop-1-enylcyclohexane

1-non-3-enyl-4-prop-1-enylcyclohexane (PubChem CID 123968866) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-non-3-enyl-4-prop-1-enylcyclohexane.

Molecular Properties

Compound Name1-non-3-enyl-4-prop-1-enylcyclohexane
PubChem CID123968866
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-non-3-enyl-4-prop-1-enylcyclohexane
SMILESCC=CC1CCC(CCC=CCCCCC)CC1
InChIInChI=1S/C18H32/c1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18/h4,8-9,11,17-18H,3,5-7,10,12-16H2,1-2H3
InChIKeyLNMSBLCJTTWOOU-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.29
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-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
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
1,4-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-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-[(E)-hex-1-enyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 140650689
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
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

Frequently Asked Questions

What is the IUPAC name of 1-non-3-enyl-4-prop-1-enylcyclohexane?
The IUPAC name of 1-non-3-enyl-4-prop-1-enylcyclohexane (CID 123968866) is 1-non-3-enyl-4-prop-1-enylcyclohexane.
What is the SMILES notation for 1-non-3-enyl-4-prop-1-enylcyclohexane?
The canonical SMILES for 1-non-3-enyl-4-prop-1-enylcyclohexane is CC=CC1CCC(CCC=CCCCCC)CC1.
What is the InChIKey of 1-non-3-enyl-4-prop-1-enylcyclohexane?
The InChIKey is LNMSBLCJTTWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18/h4,8-9,11,17-18H,3,5-7,10,12-16H2,1-2H3.
What are the key properties of 1-non-3-enyl-4-prop-1-enylcyclohexane?
1-non-3-enyl-4-prop-1-enylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-non-3-enyl-4-prop-1-enylcyclohexane is sourced from PubChem (CID 123968866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).