(2-methyl-5-pentylcyclopentyl)cyclohexane

C17H32 — CID 58552353

IUPAC(2-methyl-5-pentylcyclopentyl)cyclohexane
SMILESCCCCCC1CCC(C)C1C1CCCCC1
InChIInChI=1S/C17H32/c1-3-4-6-9-16-13-12-14(2)17(16)15-10-7-5-8-11-15/h14-17H,3-13H2,1-2H3
InChIKeyBJPWDEYROFWTIF-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.81
Rot. Bonds5

About (2-methyl-5-pentylcyclopentyl)cyclohexane

(2-methyl-5-pentylcyclopentyl)cyclohexane (PubChem CID 58552353) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (2-methyl-5-pentylcyclopentyl)cyclohexane.

Molecular Properties

Compound Name(2-methyl-5-pentylcyclopentyl)cyclohexane
PubChem CID58552353
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(2-methyl-5-pentylcyclopentyl)cyclohexane
SMILESCCCCCC1CCC(C)C1C1CCCCC1
InChIInChI=1S/C17H32/c1-3-4-6-9-16-13-12-14(2)17(16)15-10-7-5-8-11-15/h14-17H,3-13H2,1-2H3
InChIKeyBJPWDEYROFWTIF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-pentylcyclopentyl)cyclohexane?
The IUPAC name of (2-methyl-5-pentylcyclopentyl)cyclohexane (CID 58552353) is (2-methyl-5-pentylcyclopentyl)cyclohexane.
What is the SMILES notation for (2-methyl-5-pentylcyclopentyl)cyclohexane?
The canonical SMILES for (2-methyl-5-pentylcyclopentyl)cyclohexane is CCCCCC1CCC(C)C1C1CCCCC1.
What is the InChIKey of (2-methyl-5-pentylcyclopentyl)cyclohexane?
The InChIKey is BJPWDEYROFWTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-3-4-6-9-16-13-12-14(2)17(16)15-10-7-5-8-11-15/h14-17H,3-13H2,1-2H3.
What are the key properties of (2-methyl-5-pentylcyclopentyl)cyclohexane?
(2-methyl-5-pentylcyclopentyl)cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-pentylcyclopentyl)cyclohexane is sourced from PubChem (CID 58552353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).