[(1R,3S)-2,3-dimethylcyclobutyl]benzene

C12H16 — CID 142373098

IUPAC[(1R,3S)-2,3-dimethylcyclobutyl]benzene
SMILESCC1[C@@H](C)C[C@H]1c1ccccc1
InChIInChI=1S/C12H16/c1-9-8-12(10(9)2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10?,12+/m0/s1
InChIKeyHHXBDNJRCNTZRS-VXFCFVAISA-N
MW160.26 g/mol
LogP3.45
Rot. Bonds1

About [(1R,3S)-2,3-dimethylcyclobutyl]benzene

[(1R,3S)-2,3-dimethylcyclobutyl]benzene (PubChem CID 142373098) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is [(1R,3S)-2,3-dimethylcyclobutyl]benzene.

Molecular Properties

Compound Name[(1R,3S)-2,3-dimethylcyclobutyl]benzene
PubChem CID142373098
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name[(1R,3S)-2,3-dimethylcyclobutyl]benzene
SMILESCC1[C@@H](C)C[C@H]1c1ccccc1
InChIInChI=1S/C12H16/c1-9-8-12(10(9)2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10?,12+/m0/s1
InChIKeyHHXBDNJRCNTZRS-VXFCFVAISA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070
(2-methylcyclopentyl)benzene
CID 12600454
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine
CID 95365998
trimethyl-(2-phenylcyclopropyl)azanium
CID 3797998

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2,3-dimethylcyclobutyl]benzene?
The IUPAC name of [(1R,3S)-2,3-dimethylcyclobutyl]benzene (CID 142373098) is [(1R,3S)-2,3-dimethylcyclobutyl]benzene.
What is the SMILES notation for [(1R,3S)-2,3-dimethylcyclobutyl]benzene?
The canonical SMILES for [(1R,3S)-2,3-dimethylcyclobutyl]benzene is CC1[C@@H](C)C[C@H]1c1ccccc1.
What is the InChIKey of [(1R,3S)-2,3-dimethylcyclobutyl]benzene?
The InChIKey is HHXBDNJRCNTZRS-VXFCFVAISA-N. The full InChI is InChI=1S/C12H16/c1-9-8-12(10(9)2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10?,12+/m0/s1.
What are the key properties of [(1R,3S)-2,3-dimethylcyclobutyl]benzene?
[(1R,3S)-2,3-dimethylcyclobutyl]benzene has a molecular weight of 160.26 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2,3-dimethylcyclobutyl]benzene is sourced from PubChem (CID 142373098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).