1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane

C18H31Cl — CID 138567412

IUPAC1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
SMILESCCCC/C=C/C1CCC(C2CCC(Cl)CC2)CC1
InChIInChI=1S/C18H31Cl/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h5-6,15-18H,2-4,7-14H2,1H3/b6-5+
InChIKeyUNKRGUMMMUJWHQ-AATRIKPKSA-N
MW282.90 g/mol
LogP6.34
Rot. Bonds5

About 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane

1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane (PubChem CID 138567412) has the molecular formula C18H31Cl and a molecular weight of 282.90 g/mol. Its IUPAC name is 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
PubChem CID138567412
Molecular FormulaC18H31Cl
Molecular Weight282.90 g/mol
Exact Mass282.21
IUPAC Name1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
SMILESCCCC/C=C/C1CCC(C2CCC(Cl)CC2)CC1
InChIInChI=1S/C18H31Cl/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h5-6,15-18H,2-4,7-14H2,1H3/b6-5+
InChIKeyUNKRGUMMMUJWHQ-AATRIKPKSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.90
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-hex-1-enyl]cyclopropane
CID 5352188
1-[(E)-hex-1-enyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 140650689
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexane-1-carbonitrile
CID 19380427
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
(4-fluorophenyl) 4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane-1-carboxylate
CID 67806421
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
non-1-enylcyclopentane
CID 86065492
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane (CID 138567412) is 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane is CCCC/C=C/C1CCC(C2CCC(Cl)CC2)CC1.
What is the InChIKey of 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is UNKRGUMMMUJWHQ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H31Cl/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h5-6,15-18H,2-4,7-14H2,1H3/b6-5+.
What are the key properties of 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane?
1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 282.90 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 138567412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).