(3-methylcyclopentyl)benzene;propane

C15H24 — CID 142973096

IUPAC(3-methylcyclopentyl)benzene;propane
SMILESCC1CCC(c2ccccc2)C1.CCC
InChIInChI=1S/C12H16.C3H8/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-2/h2-6,10,12H,7-9H2,1H3;3H2,1-2H3
InChIKeyZWNKGTFFLPFFHN-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.01
Rot. Bonds1

About (3-methylcyclopentyl)benzene;propane

(3-methylcyclopentyl)benzene;propane (PubChem CID 142973096) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3-methylcyclopentyl)benzene;propane.

Molecular Properties

Compound Name(3-methylcyclopentyl)benzene;propane
PubChem CID142973096
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3-methylcyclopentyl)benzene;propane
SMILESCC1CCC(c2ccccc2)C1.CCC
InChIInChI=1S/C12H16.C3H8/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-2/h2-6,10,12H,7-9H2,1H3;3H2,1-2H3
InChIKeyZWNKGTFFLPFFHN-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
benzene;cyclopropylbenzene
CID 144638417
1-tert-butyl-4-(3-methylcyclopentyl)benzene
CID 21137198
(4-propylcyclohexyl)benzene
CID 155887669
cyclopropylbenzene;ethylhydrazine
CID 22346635
ethane;(2R,4S,7R)-7-methyl-2,4-diphenylcyclooctan-1-one
CID 91576649
[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 18720884
2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63066865
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
(3-ethyl-3,5-dimethylcyclohexyl)benzene
CID 20692192
N-ethyl-4-phenyl-2-propylcyclohexan-1-amine
CID 55185589
2-(diethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 63068055

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)benzene;propane?
The IUPAC name of (3-methylcyclopentyl)benzene;propane (CID 142973096) is (3-methylcyclopentyl)benzene;propane.
What is the SMILES notation for (3-methylcyclopentyl)benzene;propane?
The canonical SMILES for (3-methylcyclopentyl)benzene;propane is CC1CCC(c2ccccc2)C1.CCC.
What is the InChIKey of (3-methylcyclopentyl)benzene;propane?
The InChIKey is ZWNKGTFFLPFFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C3H8/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-3-2/h2-6,10,12H,7-9H2,1H3;3H2,1-2H3.
What are the key properties of (3-methylcyclopentyl)benzene;propane?
(3-methylcyclopentyl)benzene;propane has a molecular weight of 204.36 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)benzene;propane is sourced from PubChem (CID 142973096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).