[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene

C16H20 — CID 145030351

IUPAC[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene
SMILESC=C=C(CCC)[C@H]1C[C@@]1(C)c1ccccc1
InChIInChI=1S/C16H20/c1-4-9-13(5-2)15-12-16(15,3)14-10-7-6-8-11-14/h6-8,10-11,15H,2,4,9,12H2,1,3H3/t15-,16+/m1/s1
InChIKeyFICLPZONVABDIN-CVEARBPZSA-N
MW212.34 g/mol
LogP4.48
Rot. Bonds4

About [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene

[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene (PubChem CID 145030351) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene
PubChem CID145030351
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene
SMILESC=C=C(CCC)[C@H]1C[C@@]1(C)c1ccccc1
InChIInChI=1S/C16H20/c1-4-9-13(5-2)15-12-16(15,3)14-10-7-6-8-11-14/h6-8,10-11,15H,2,4,9,12H2,1,3H3/t15-,16+/m1/s1
InChIKeyFICLPZONVABDIN-CVEARBPZSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
CID 7037658
[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene
CID 145152257
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 136588702
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene?
The IUPAC name of [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene (CID 145030351) is [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene is C=C=C(CCC)[C@H]1C[C@@]1(C)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene?
The InChIKey is FICLPZONVABDIN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H20/c1-4-9-13(5-2)15-12-16(15,3)14-10-7-6-8-11-14/h6-8,10-11,15H,2,4,9,12H2,1,3H3/t15-,16+/m1/s1.
What are the key properties of [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene?
[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene is sourced from PubChem (CID 145030351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).