[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene

C16H20 — CID 11672948

IUPAC[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
SMILESCC(C)=C/C=C(\C)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H20/c1-12(2)9-10-13(3)15-11-16(15)14-7-5-4-6-8-14/h4-10,15-16H,11H2,1-3H3/b13-10+/t15-,16-/m0/s1
InChIKeyFEYZOYKMAOCOBU-TZCWYCDXSA-N
MW212.34 g/mol
LogP4.70
Rot. Bonds3

About [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene

[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene (PubChem CID 11672948) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
PubChem CID11672948
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
SMILESCC(C)=C/C=C(\C)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H20/c1-12(2)9-10-13(3)15-11-16(15)14-7-5-4-6-8-14/h4-10,15-16H,11H2,1-3H3/b13-10+/t15-,16-/m0/s1
InChIKeyFEYZOYKMAOCOBU-TZCWYCDXSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2-bromo-3-methyl-1-(2-phenylcyclopropyl)but-2-en-1-one
CID 59864944
[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene
CID 134996323
[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
CID 101094176
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2-phenylcyclopropane-1-carbothioamide
CID 86086576
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene?
The IUPAC name of [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene (CID 11672948) is [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene is CC(C)=C/C=C(\C)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene?
The InChIKey is FEYZOYKMAOCOBU-TZCWYCDXSA-N. The full InChI is InChI=1S/C16H20/c1-12(2)9-10-13(3)15-11-16(15)14-7-5-4-6-8-14/h4-10,15-16H,11H2,1-3H3/b13-10+/t15-,16-/m0/s1.
What are the key properties of [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene?
[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene is sourced from PubChem (CID 11672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).