[1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen

C22H38 — CID 143979450

IUPAC[1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc(C2(CCCC3CCCC3)CCCCC2)cc1
InChIInChI=1S/C20H30.C2H6.H2/c1-3-13-19(14-4-1)20(15-7-2-8-16-20)17-9-12-18-10-5-6-11-18;1-2;/h1,3-4,13-14,18H,2,5-12,15-17H2;1-2H3;1H
InChIKeyXTRFQDGXPRJUIH-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.52
Rot. Bonds5

About [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen

[1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen (PubChem CID 143979450) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen.

Molecular Properties

Compound Name[1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen
PubChem CID143979450
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name[1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc(C2(CCCC3CCCC3)CCCCC2)cc1
InChIInChI=1S/C20H30.C2H6.H2/c1-3-13-19(14-4-1)20(15-7-2-8-16-20)17-9-12-18-10-5-6-11-18;1-2;/h1,3-4,13-14,18H,2,5-12,15-17H2;1-2H3;1H
InChIKeyXTRFQDGXPRJUIH-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen?
The IUPAC name of [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen (CID 143979450) is [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen.
What is the SMILES notation for [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen?
The canonical SMILES for [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen is CC.[H][H].c1ccc(C2(CCCC3CCCC3)CCCCC2)cc1.
What is the InChIKey of [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen?
The InChIKey is XTRFQDGXPRJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30.C2H6.H2/c1-3-13-19(14-4-1)20(15-7-2-8-16-20)17-9-12-18-10-5-6-11-18;1-2;/h1,3-4,13-14,18H,2,5-12,15-17H2;1-2H3;1H.
What are the key properties of [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen?
[1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen has a molecular weight of 302.55 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopentylpropyl)cyclohexyl]benzene;ethane;molecular hydrogen is sourced from PubChem (CID 143979450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).