[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene

C14H18 — CID 155932132

IUPAC[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
SMILESCC(C)=C[C@]1(C)C[C@H]1c1ccccc1
InChIInChI=1S/C14H18/c1-11(2)9-14(3)10-13(14)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3/t13-,14+/m0/s1
InChIKeyCBXPUIRUDWKGQJ-UONOGXRCSA-N
MW186.30 g/mol
LogP4.15
Rot. Bonds2

About [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene

[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene (PubChem CID 155932132) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
PubChem CID155932132
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
SMILESCC(C)=C[C@]1(C)C[C@H]1c1ccccc1
InChIInChI=1S/C14H18/c1-11(2)9-14(3)10-13(14)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3/t13-,14+/m0/s1
InChIKeyCBXPUIRUDWKGQJ-UONOGXRCSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene
CID 601375
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(2,2-dimethylcyclopropyl)benzene;(2E,4E)-hepta-2,4,6-triene-2,4-diol
CID 144670626
(2-methyl-2-nitrosocyclopropyl)benzene
CID 88564269
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(2S,3R,5R)-3-hydroxy-3-methyl-5-phenylthiolane-2-carboxylic acid
CID 11898208

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene?
The IUPAC name of [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene (CID 155932132) is [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene.
What is the SMILES notation for [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene?
The canonical SMILES for [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene is CC(C)=C[C@]1(C)C[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene?
The InChIKey is CBXPUIRUDWKGQJ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18/c1-11(2)9-14(3)10-13(14)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene?
[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene has a molecular weight of 186.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene is sourced from PubChem (CID 155932132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).