(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene

C18H26 — CID 123913209

IUPAC(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene
SMILESCCCCC1CC(c2ccccc2)=CCC1(C)C
InChIInChI=1S/C18H26/c1-4-5-11-17-14-16(12-13-18(17,2)3)15-9-7-6-8-10-15/h6-10,12,17H,4-5,11,13-14H2,1-3H3
InChIKeyZJTWEIONSNAXEV-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.70
Rot. Bonds4

About (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene

(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene (PubChem CID 123913209) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene
PubChem CID123913209
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene
SMILESCCCCC1CC(c2ccccc2)=CCC1(C)C
InChIInChI=1S/C18H26/c1-4-5-11-17-14-16(12-13-18(17,2)3)15-9-7-6-8-10-15/h6-10,12,17H,4-5,11,13-14H2,1-3H3
InChIKeyZJTWEIONSNAXEV-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-methylcyclohexen-1-yl)benzene
CID 56998306
(1R)-3-phenylcyclohex-3-en-1-amine
CID 175905363
(2-butyl-1-phenoxycyclopropyl)oxybenzene
CID 11065916
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
(3R,7R)-7-butyl-2-phenyl-5-oxaspiro[2.4]hept-1-en-4-one
CID 134848058
(3-phenylcyclohex-3-en-1-yl)methanol
CID 15185954
1,1'-biphenyl;hexadecane
CID 173308514
1-butyl-3-phenylcyclobut-2-en-1-ol
CID 12059929
(3S,4R)-3-butyl-4-methyl-1-phenylpiperidin-4-amine
CID 68689554
2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936
(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one
CID 57336731
(3S,4S)-3,4-dibutyl-1-phenylphospholane
CID 102356014

Frequently Asked Questions

What is the IUPAC name of (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene?
The IUPAC name of (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene (CID 123913209) is (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene.
What is the SMILES notation for (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene?
The canonical SMILES for (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene is CCCCC1CC(c2ccccc2)=CCC1(C)C.
What is the InChIKey of (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene?
The InChIKey is ZJTWEIONSNAXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-4-5-11-17-14-16(12-13-18(17,2)3)15-9-7-6-8-10-15/h6-10,12,17H,4-5,11,13-14H2,1-3H3.
What are the key properties of (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene?
(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene has a molecular weight of 242.41 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-4,4-dimethylcyclohexen-1-yl)benzene is sourced from PubChem (CID 123913209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).