1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene

C15H22 — CID 123311391

IUPAC1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene
SMILESCc1ccc(C2CCC2)c(C(C)C)c1C
InChIInChI=1S/C15H22/c1-10(2)15-12(4)11(3)8-9-14(15)13-6-5-7-13/h8-10,13H,5-7H2,1-4H3
InChIKeyNZDUTAJLYVDVPQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.69
Rot. Bonds2

About 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene

1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene (PubChem CID 123311391) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene
PubChem CID123311391
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene
SMILESCc1ccc(C2CCC2)c(C(C)C)c1C
InChIInChI=1S/C15H22/c1-10(2)15-12(4)11(3)8-9-14(15)13-6-5-7-13/h8-10,13H,5-7H2,1-4H3
InChIKeyNZDUTAJLYVDVPQ-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,3-dimethylphenyl)cyclodecane
CID 21161883
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
1-cyclopropyl-2-iodo-3,4-dimethylbenzene
CID 170981929
5-cyclobutyl-4-methyl-2,3-dihydro-1H-indene
CID 156857499
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran
CID 170676356
2,6-dicyclohexyl-3-methylphenol
CID 3022567
5-cyclopropyl-4-propan-2-yl-1H-indene
CID 157248979
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
(2-benzoyloxy-4-cyclopentyl-6-methyl-3-propan-2-ylphenyl) benzoate
CID 87393900
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene?
The IUPAC name of 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene (CID 123311391) is 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene is Cc1ccc(C2CCC2)c(C(C)C)c1C.
What is the InChIKey of 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene?
The InChIKey is NZDUTAJLYVDVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-10(2)15-12(4)11(3)8-9-14(15)13-6-5-7-13/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene?
1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3,4-dimethyl-2-propan-2-ylbenzene is sourced from PubChem (CID 123311391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).