[(1S)-1-butyl-2-methylidenecyclopropyl]benzene

C14H18 — CID 102163735

IUPAC[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
SMILESC=C1C[C@]1(CCCC)c1ccccc1
InChIInChI=1S/C14H18/c1-3-4-10-14(11-12(14)2)13-8-6-5-7-9-13/h5-9H,2-4,10-11H2,1H3/t14-/m0/s1
InChIKeySZWQRVNZDCDDQB-AWEZNQCLSA-N
MW186.30 g/mol
LogP4.07
Rot. Bonds4

About [(1S)-1-butyl-2-methylidenecyclopropyl]benzene

[(1S)-1-butyl-2-methylidenecyclopropyl]benzene (PubChem CID 102163735) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is [(1S)-1-butyl-2-methylidenecyclopropyl]benzene.

Molecular Properties

Compound Name[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
PubChem CID102163735
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
SMILESC=C1C[C@]1(CCCC)c1ccccc1
InChIInChI=1S/C14H18/c1-3-4-10-14(11-12(14)2)13-8-6-5-7-9-13/h5-9H,2-4,10-11H2,1H3/t14-/m0/s1
InChIKeySZWQRVNZDCDDQB-AWEZNQCLSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.07
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

[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
4-butyl-4-phenyl-2,3-dihydrochromene
CID 5169021
(1-butylcyclobutyl)benzene
CID 57200184
(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol
CID 134859607
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
CID 101336318
5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene
CID 150014073
3-phenyl-3-propyloxolane-2,5-dione
CID 43134890
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane
CID 132539205

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-butyl-2-methylidenecyclopropyl]benzene?
The IUPAC name of [(1S)-1-butyl-2-methylidenecyclopropyl]benzene (CID 102163735) is [(1S)-1-butyl-2-methylidenecyclopropyl]benzene.
What is the SMILES notation for [(1S)-1-butyl-2-methylidenecyclopropyl]benzene?
The canonical SMILES for [(1S)-1-butyl-2-methylidenecyclopropyl]benzene is C=C1C[C@]1(CCCC)c1ccccc1.
What is the InChIKey of [(1S)-1-butyl-2-methylidenecyclopropyl]benzene?
The InChIKey is SZWQRVNZDCDDQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18/c1-3-4-10-14(11-12(14)2)13-8-6-5-7-9-13/h5-9H,2-4,10-11H2,1H3/t14-/m0/s1.
What are the key properties of [(1S)-1-butyl-2-methylidenecyclopropyl]benzene?
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene has a molecular weight of 186.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-butyl-2-methylidenecyclopropyl]benzene is sourced from PubChem (CID 102163735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).