[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene

C16H22 — CID 101032196

IUPAC[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
SMILESC=CC[C@]1(CCCC)CC1c1ccccc1
InChIInChI=1S/C16H22/c1-3-5-12-16(11-4-2)13-15(16)14-9-7-6-8-10-14/h4,6-10,15H,2-3,5,11-13H2,1H3/t15?,16-/m0/s1
InChIKeyVVLQLOIBLQFLCQ-LYKKTTPLSA-N
MW214.35 g/mol
LogP4.93
Rot. Bonds6

About [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene

[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene (PubChem CID 101032196) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene.

Molecular Properties

Compound Name[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
PubChem CID101032196
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
SMILESC=CC[C@]1(CCCC)CC1c1ccccc1
InChIInChI=1S/C16H22/c1-3-5-12-16(11-4-2)13-15(16)14-9-7-6-8-10-14/h4,6-10,15H,2-3,5,11-13H2,1H3/t15?,16-/m0/s1
InChIKeyVVLQLOIBLQFLCQ-LYKKTTPLSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.93
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

trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
CID 102316504
2,6-bis[(2S)-3,3-dibutyl-2-phenyl-2,4-dihydropyrrol-5-yl]pyridine
CID 142712915
(2-butyl-3-methylidene-1-phenyl-2-prop-2-enylcyclopropyl)methanol
CID 134859607
[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
CID 102422403
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane
CID 10837130
3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran
CID 11207248
(3R,8S,8aR)-8-ethyl-3-phenyl-6,6-bis(prop-2-enyl)-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11587882
pentane;prop-2-enylbenzene
CID 90884247

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene?
The IUPAC name of [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene (CID 101032196) is [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene.
What is the SMILES notation for [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene?
The canonical SMILES for [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene is C=CC[C@]1(CCCC)CC1c1ccccc1.
What is the InChIKey of [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene?
The InChIKey is VVLQLOIBLQFLCQ-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H22/c1-3-5-12-16(11-4-2)13-15(16)14-9-7-6-8-10-14/h4,6-10,15H,2-3,5,11-13H2,1H3/t15?,16-/m0/s1.
What are the key properties of [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene?
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene has a molecular weight of 214.35 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene is sourced from PubChem (CID 101032196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).