1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene

C17H22 — CID 142113855

IUPAC1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
SMILESCCCC(C1=CC=CCC1C)c1ccccc1
InChIInChI=1S/C17H22/c1-3-9-17(15-11-5-4-6-12-15)16-13-8-7-10-14(16)2/h4-8,11-14,17H,3,9-10H2,1-2H3
InChIKeyDJIGKPOUKYXHOR-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.09
Rot. Bonds4

About 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene

1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene (PubChem CID 142113855) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene.

Molecular Properties

Compound Name1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
PubChem CID142113855
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
SMILESCCCC(C1=CC=CCC1C)c1ccccc1
InChIInChI=1S/C17H22/c1-3-9-17(15-11-5-4-6-12-15)16-13-8-7-10-14(16)2/h4-8,11-14,17H,3,9-10H2,1-2H3
InChIKeyDJIGKPOUKYXHOR-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-2-[ethyl(methyl)amino]-2-(6-methylcyclohexa-1,3-dien-1-yl)acetic acid
CID 163469662
1,1-diphenylhexan-3-ylbenzene
CID 57087261
1-(chloromethyl)-4-(1-phenylbutyl)benzene
CID 22408251
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2-[4-(1-phenylbutyl)phenyl]ethanol
CID 166439052
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
pentan-2-ylbenzene
CID 17627
2-phenylpentan-1-amine
CID 14321247
1-chloropentan-2-ylbenzene
CID 524326
1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
CID 173316758
5-(1-phenylbutyl)benzene-1,3-diol
CID 151074904
1-cyclohexylpentan-2-ylbenzene
CID 139744385

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene?
The IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene (CID 142113855) is 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene.
What is the SMILES notation for 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene?
The canonical SMILES for 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene is CCCC(C1=CC=CCC1C)c1ccccc1.
What is the InChIKey of 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene?
The InChIKey is DJIGKPOUKYXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-3-9-17(15-11-5-4-6-12-15)16-13-8-7-10-14(16)2/h4-8,11-14,17H,3,9-10H2,1-2H3.
What are the key properties of 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene?
1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene has a molecular weight of 226.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene is sourced from PubChem (CID 142113855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).