1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene

C15H23Cl — CID 138493357

IUPAC1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCC1CCC(C2=CC=C(Cl)CC2)CC1
InChIInChI=1S/C15H23Cl/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8,10,12-13H,2-7,9,11H2,1H3
InChIKeyZNVYDOJDEJBLNO-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.44
Rot. Bonds3

About 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene

1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 138493357) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene
PubChem CID138493357
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCC1CCC(C2=CC=C(Cl)CC2)CC1
InChIInChI=1S/C15H23Cl/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8,10,12-13H,2-7,9,11H2,1H3
InChIKeyZNVYDOJDEJBLNO-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.80
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 155784456
4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene
CID 126627033
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
ethane;propane;propylcyclopropane
CID 145406182
5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
CID 65400393
4-butoxy-1-(4-propylcyclohexyl)cyclohexene
CID 139714691
1,3-difluoro-5-[4-(4-hexylcyclohexyl)cyclohexa-1,3-dien-1-yl]-2-octylbenzene
CID 19005572
2-decyl-1,3-difluoro-5-[4-(4-hexylcyclohexyl)cyclohexa-1,3-dien-1-yl]benzene
CID 19005660
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene (CID 138493357) is 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene is CCCC1CCC(C2=CC=C(Cl)CC2)CC1.
What is the InChIKey of 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is ZNVYDOJDEJBLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8,10,12-13H,2-7,9,11H2,1H3.
What are the key properties of 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene?
1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 238.80 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 138493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).