3,3-dicyclohexylpropylbenzene

C21H32 — CID 86671113

IUPAC3,3-dicyclohexylpropylbenzene
SMILESc1ccc(CCC(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H32/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-21H,2-3,6-9,12-17H2
InChIKeyZHZDUYGSPLXWJD-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.40
Rot. Bonds5

About 3,3-dicyclohexylpropylbenzene

3,3-dicyclohexylpropylbenzene (PubChem CID 86671113) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3,3-dicyclohexylpropylbenzene.

Molecular Properties

Compound Name3,3-dicyclohexylpropylbenzene
PubChem CID86671113
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name3,3-dicyclohexylpropylbenzene
SMILESc1ccc(CCC(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H32/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-21H,2-3,6-9,12-17H2
InChIKeyZHZDUYGSPLXWJD-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
(1-cyclohexyl-4-phenylbutan-2-yl)hydrazine
CID 105205647
[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
CID 173252623
(1-cyclobutyl-3-phenylpropyl)hydrazine
CID 105205787
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclohexylpropylbenzene?
The IUPAC name of 3,3-dicyclohexylpropylbenzene (CID 86671113) is 3,3-dicyclohexylpropylbenzene.
What is the SMILES notation for 3,3-dicyclohexylpropylbenzene?
The canonical SMILES for 3,3-dicyclohexylpropylbenzene is c1ccc(CCC(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 3,3-dicyclohexylpropylbenzene?
The InChIKey is ZHZDUYGSPLXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-21H,2-3,6-9,12-17H2.
What are the key properties of 3,3-dicyclohexylpropylbenzene?
3,3-dicyclohexylpropylbenzene has a molecular weight of 284.49 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclohexylpropylbenzene is sourced from PubChem (CID 86671113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).