(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene

C23H30 — CID 173352600

IUPAC(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
SMILESCC(C)C(Cc1ccccc1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H30/c1-18(2)22(17-19-11-5-3-6-12-19)23(21-15-9-10-16-21)20-13-7-4-8-14-20/h3-8,11-14,18,21-23H,9-10,15-17H2,1-2H3
InChIKeyMBFOTPRCTORUDY-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.48
Rot. Bonds6

About (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene

(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene (PubChem CID 173352600) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene.

Molecular Properties

Compound Name(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
PubChem CID173352600
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
SMILESCC(C)C(Cc1ccccc1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H30/c1-18(2)22(17-19-11-5-3-6-12-19)23(21-15-9-10-16-21)20-13-7-4-8-14-20/h3-8,11-14,18,21-23H,9-10,15-17H2,1-2H3
InChIKeyMBFOTPRCTORUDY-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexylpropylbenzene
CID 15846297
[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene
CID 54333330
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
1-cyclopentyl-2-phenylethanamine
CID 50988646
acetaldehyde;2-cyclopentylpropylbenzene;ethane
CID 170581057
3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 58599580
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
(2-bromo-1-cyclopropylpropyl)benzene
CID 66470259
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549093

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene?
The IUPAC name of (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene (CID 173352600) is (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene.
What is the SMILES notation for (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene?
The canonical SMILES for (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene is CC(C)C(Cc1ccccc1)C(c1ccccc1)C1CCCC1.
What is the InChIKey of (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene?
The InChIKey is MBFOTPRCTORUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-18(2)22(17-19-11-5-3-6-12-19)23(21-15-9-10-16-21)20-13-7-4-8-14-20/h3-8,11-14,18,21-23H,9-10,15-17H2,1-2H3.
What are the key properties of (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene?
(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene has a molecular weight of 306.49 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1-cyclopentyl-3-methylbutyl)benzene is sourced from PubChem (CID 173352600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).