[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene

C14H20 — CID 101248337

IUPAC[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
SMILESCCCC[C@@]1(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C14H20/c1-3-4-10-14(11-12(14)2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyDKMHKIWATHLNME-GXTWGEPZSA-N
MW188.31 g/mol
LogP4.15
Rot. Bonds4

About [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene

[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene (PubChem CID 101248337) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
PubChem CID101248337
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
SMILESCCCC[C@@]1(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C14H20/c1-3-4-10-14(11-12(14)2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyDKMHKIWATHLNME-GXTWGEPZSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane
CID 132539205
(1-butylcyclobutyl)benzene
CID 57200184
3-butyl-4-methyl-3-phenyloxan-2-one
CID 70111005
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
2-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl]ethylazanium
CID 7079867
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
CID 46702611
2-amino-4-butyl-4-phenylcyclohexan-1-one
CID 68697022
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
CID 101336318
5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene
CID 150014073
3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene?
The IUPAC name of [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene (CID 101248337) is [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene?
The canonical SMILES for [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene is CCCC[C@@]1(c2ccccc2)C[C@@H]1C.
What is the InChIKey of [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene?
The InChIKey is DKMHKIWATHLNME-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20/c1-3-4-10-14(11-12(14)2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene?
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-butyl-2-methylcyclopropyl]benzene is sourced from PubChem (CID 101248337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).