[(3R)-3-cyclohexylbutyl]benzene

C16H24 — CID 102579407

IUPAC[(3R)-3-cyclohexylbutyl]benzene
SMILESC[C@H](CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-/m1/s1
InChIKeyJEZUOOSANNCVIJ-CQSZACIVSA-N
MW216.37 g/mol
LogP4.84
Rot. Bonds4

About [(3R)-3-cyclohexylbutyl]benzene

[(3R)-3-cyclohexylbutyl]benzene (PubChem CID 102579407) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is [(3R)-3-cyclohexylbutyl]benzene.

Molecular Properties

Compound Name[(3R)-3-cyclohexylbutyl]benzene
PubChem CID102579407
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name[(3R)-3-cyclohexylbutyl]benzene
SMILESC[C@H](CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-/m1/s1
InChIKeyJEZUOOSANNCVIJ-CQSZACIVSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dicyclohexylpropylbenzene
CID 86671113
2-cyclohexylpropylbenzene
CID 15846297
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
3-cyclohexylbutyl(diphenyl)phosphane
CID 53471136
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-cyclohexylbutyl]benzene?
The IUPAC name of [(3R)-3-cyclohexylbutyl]benzene (CID 102579407) is [(3R)-3-cyclohexylbutyl]benzene.
What is the SMILES notation for [(3R)-3-cyclohexylbutyl]benzene?
The canonical SMILES for [(3R)-3-cyclohexylbutyl]benzene is C[C@H](CCc1ccccc1)C1CCCCC1.
What is the InChIKey of [(3R)-3-cyclohexylbutyl]benzene?
The InChIKey is JEZUOOSANNCVIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-cyclohexylbutyl]benzene?
[(3R)-3-cyclohexylbutyl]benzene has a molecular weight of 216.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-cyclohexylbutyl]benzene is sourced from PubChem (CID 102579407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).