4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile

C23H39N — CID 19380427

IUPAC4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile
SMILESCCCCCCCC/C=C/C1CCC(C2CCC(C#N)CC2)CC1
InChIInChI=1S/C23H39N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h9-10,20-23H,2-8,11-18H2,1H3/b10-9+
InChIKeyBCYPRRLZROZZHY-MDZDMXLPSA-N
MW329.57 g/mol
LogP7.43
Rot. Bonds9

About 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile

4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile (PubChem CID 19380427) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile
PubChem CID19380427
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile
SMILESCCCCCCCC/C=C/C1CCC(C2CCC(C#N)CC2)CC1
InChIInChI=1S/C23H39N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h9-10,20-23H,2-8,11-18H2,1H3/b10-9+
InChIKeyBCYPRRLZROZZHY-MDZDMXLPSA-N
XLogP7.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

non-1-enylcyclopentane
CID 86065492
[(E)-hex-1-enyl]cyclopropane
CID 5352188
1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
CID 138567412
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile;trihydrate
CID 157133705
4-(4-octoxycyclohexyl)cyclohexane-1-carbonitrile
CID 57058865
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
1-[(E)-hex-1-enyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 140650689

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile (CID 19380427) is 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile is CCCCCCCC/C=C/C1CCC(C2CCC(C#N)CC2)CC1.
What is the InChIKey of 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
The InChIKey is BCYPRRLZROZZHY-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H39N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h9-10,20-23H,2-8,11-18H2,1H3/b10-9+.
What are the key properties of 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile?
4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile has a molecular weight of 329.57 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 19380427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).