1-cyclobutyl-3-(2-methylpropyl)benzene

C14H20 — CID 169137072

IUPAC1-cyclobutyl-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(C2CCC2)c1
InChIInChI=1S/C14H20/c1-11(2)9-12-5-3-8-14(10-12)13-6-4-7-13/h3,5,8,10-11,13H,4,6-7,9H2,1-2H3
InChIKeyZPXUZXFKFBMREB-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.15
Rot. Bonds3

About 1-cyclobutyl-3-(2-methylpropyl)benzene

1-cyclobutyl-3-(2-methylpropyl)benzene (PubChem CID 169137072) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methylpropyl)benzene
PubChem CID169137072
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-cyclobutyl-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(C2CCC2)c1
InChIInChI=1S/C14H20/c1-11(2)9-12-5-3-8-14(10-12)13-6-4-7-13/h3,5,8,10-11,13H,4,6-7,9H2,1-2H3
InChIKeyZPXUZXFKFBMREB-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene
CID 116545883
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
CID 112705489
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
(3-cycloheptylphenyl)methanol
CID 84672634
(3-cyclohexylphenyl)methanethiol
CID 22000684
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 59601190

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methylpropyl)benzene?
The IUPAC name of 1-cyclobutyl-3-(2-methylpropyl)benzene (CID 169137072) is 1-cyclobutyl-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-cyclobutyl-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-cyclobutyl-3-(2-methylpropyl)benzene is CC(C)Cc1cccc(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-3-(2-methylpropyl)benzene?
The InChIKey is ZPXUZXFKFBMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-11(2)9-12-5-3-8-14(10-12)13-6-4-7-13/h3,5,8,10-11,13H,4,6-7,9H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(2-methylpropyl)benzene?
1-cyclobutyl-3-(2-methylpropyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methylpropyl)benzene is sourced from PubChem (CID 169137072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).