[(1R,2R)-2-hexylcyclopropyl]benzene

C15H22 — CID 100977396

IUPAC[(1R,2R)-2-hexylcyclopropyl]benzene
SMILESCCCCCC[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H22/c1-2-3-4-6-11-14-12-15(14)13-9-7-5-8-10-13/h5,7-10,14-15H,2-4,6,11-12H2,1H3/t14-,15+/m1/s1
InChIKeyJIQYMTKBUVSUEO-CABCVRRESA-N
MW202.34 g/mol
LogP4.76
Rot. Bonds6

About [(1R,2R)-2-hexylcyclopropyl]benzene

[(1R,2R)-2-hexylcyclopropyl]benzene (PubChem CID 100977396) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is [(1R,2R)-2-hexylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-hexylcyclopropyl]benzene
PubChem CID100977396
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name[(1R,2R)-2-hexylcyclopropyl]benzene
SMILESCCCCCC[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H22/c1-2-3-4-6-11-14-12-15(14)13-9-7-5-8-10-13/h5,7-10,14-15H,2-4,6,11-12H2,1H3/t14-,15+/m1/s1
InChIKeyJIQYMTKBUVSUEO-CABCVRRESA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
CID 124705421
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
(2-butylcyclopentyl)benzene
CID 20616758
2-[(1R,2R)-2-butylcyclopropyl]naphthalene
CID 102005653
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
CID 101342444
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
1-(2-phenylcyclopropyl)pentan-3-one
CID 116518251
3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol
CID 67855090
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
(3S,4R)-4-pentyl-3-phenyloxolan-2-one
CID 102094914
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
1-hexyl-2-undecylcyclopropane
CID 58049498

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hexylcyclopropyl]benzene?
The IUPAC name of [(1R,2R)-2-hexylcyclopropyl]benzene (CID 100977396) is [(1R,2R)-2-hexylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-2-hexylcyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-2-hexylcyclopropyl]benzene is CCCCCC[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-hexylcyclopropyl]benzene?
The InChIKey is JIQYMTKBUVSUEO-CABCVRRESA-N. The full InChI is InChI=1S/C15H22/c1-2-3-4-6-11-14-12-15(14)13-9-7-5-8-10-13/h5,7-10,14-15H,2-4,6,11-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(1R,2R)-2-hexylcyclopropyl]benzene?
[(1R,2R)-2-hexylcyclopropyl]benzene has a molecular weight of 202.34 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hexylcyclopropyl]benzene is sourced from PubChem (CID 100977396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).