(3-cyclopentyl-3-methylbutyl)benzene

C16H24 — CID 102410017

IUPAC(3-cyclopentyl-3-methylbutyl)benzene
SMILESCC(C)(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C16H24/c1-16(2,15-10-6-7-11-15)13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyRLFGKHUSXBDCML-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.84
Rot. Bonds4

About (3-cyclopentyl-3-methylbutyl)benzene

(3-cyclopentyl-3-methylbutyl)benzene (PubChem CID 102410017) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (3-cyclopentyl-3-methylbutyl)benzene.

Molecular Properties

Compound Name(3-cyclopentyl-3-methylbutyl)benzene
PubChem CID102410017
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(3-cyclopentyl-3-methylbutyl)benzene
SMILESCC(C)(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C16H24/c1-16(2,15-10-6-7-11-15)13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyRLFGKHUSXBDCML-UHFFFAOYSA-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

2-phenylethylcyclooctane
CID 54073487
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
CID 100913906
CID 100913906
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate
CID 138598687
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
2-cyclohexyl-2-phenylmethoxypropanenitrile
CID 154277038
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
2-cyclopropyl-2-methyl-5-phenylpentan-1-ol
CID 83150041
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-3-methylbutyl)benzene?
The IUPAC name of (3-cyclopentyl-3-methylbutyl)benzene (CID 102410017) is (3-cyclopentyl-3-methylbutyl)benzene.
What is the SMILES notation for (3-cyclopentyl-3-methylbutyl)benzene?
The canonical SMILES for (3-cyclopentyl-3-methylbutyl)benzene is CC(C)(CCc1ccccc1)C1CCCC1.
What is the InChIKey of (3-cyclopentyl-3-methylbutyl)benzene?
The InChIKey is RLFGKHUSXBDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-16(2,15-10-6-7-11-15)13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3.
What are the key properties of (3-cyclopentyl-3-methylbutyl)benzene?
(3-cyclopentyl-3-methylbutyl)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 (3-cyclopentyl-3-methylbutyl)benzene is sourced from PubChem (CID 102410017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).