1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene

C23H36 — CID 142209296

IUPAC1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene
SMILESCCCCC(CCC)CC1CC=C(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C23H36/c1-5-7-9-20(8-6-2)17-21-10-12-22(13-11-21)23-15-18(3)14-19(4)16-23/h12,14-16,20-21H,5-11,13,17H2,1-4H3
InChIKeySVIDRBRYCRBSNV-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.48
Rot. Bonds8

About 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene

1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene (PubChem CID 142209296) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene
PubChem CID142209296
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene
SMILESCCCCC(CCC)CC1CC=C(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C23H36/c1-5-7-9-20(8-6-2)17-21-10-12-22(13-11-21)23-15-18(3)14-19(4)16-23/h12,14-16,20-21H,5-11,13,17H2,1-4H3
InChIKeySVIDRBRYCRBSNV-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3,5-dimethylphenyl)cyclohex-3-en-1-ol
CID 142209258
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
CID 20538151
1-[4-(3,5-dimethylphenyl)cyclohex-3-en-1-yl]-6-methyl-2-propylhept-6-en-1-amine;ethane;prop-1-ene
CID 142209191
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
CID 126566440
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene
CID 174197232
4-[1-(4-aminophenyl)-4-(2-propylhexyl)cyclohexyl]aniline
CID 172731199
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
4-(4-butylcyclohexen-1-yl)benzonitrile
CID 575809

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene (CID 142209296) is 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene is CCCCC(CCC)CC1CC=C(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene?
The InChIKey is SVIDRBRYCRBSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-5-7-9-20(8-6-2)17-21-10-12-22(13-11-21)23-15-18(3)14-19(4)16-23/h12,14-16,20-21H,5-11,13,17H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene?
1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene has a molecular weight of 312.54 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(2-propylhexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 142209296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).