1,1-di(nonyl)cyclopentane

C23H46 — CID 154318487

IUPAC1,1-di(nonyl)cyclopentane
SMILESCCCCCCCCCC1(CCCCCCCCC)CCCC1
InChIInChI=1S/C23H46/c1-3-5-7-9-11-13-15-19-23(21-17-18-22-23)20-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyHZBGIBYITGXEKW-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.83
Rot. Bonds16

About 1,1-di(nonyl)cyclopentane

1,1-di(nonyl)cyclopentane (PubChem CID 154318487) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1,1-di(nonyl)cyclopentane.

Molecular Properties

Compound Name1,1-di(nonyl)cyclopentane
PubChem CID154318487
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1,1-di(nonyl)cyclopentane
SMILESCCCCCCCCCC1(CCCCCCCCC)CCCC1
InChIInChI=1S/C23H46/c1-3-5-7-9-11-13-15-19-23(21-17-18-22-23)20-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyHZBGIBYITGXEKW-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.83
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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Related Compounds

1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-dipentylcyclononane
CID 169026027
(1-hexylcyclohexyl)methanol
CID 66024993
(1-pentylcyclopentyl)methanamine
CID 62725889
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131

Frequently Asked Questions

What is the IUPAC name of 1,1-di(nonyl)cyclopentane?
The IUPAC name of 1,1-di(nonyl)cyclopentane (CID 154318487) is 1,1-di(nonyl)cyclopentane.
What is the SMILES notation for 1,1-di(nonyl)cyclopentane?
The canonical SMILES for 1,1-di(nonyl)cyclopentane is CCCCCCCCCC1(CCCCCCCCC)CCCC1.
What is the InChIKey of 1,1-di(nonyl)cyclopentane?
The InChIKey is HZBGIBYITGXEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-3-5-7-9-11-13-15-19-23(21-17-18-22-23)20-16-14-12-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1,1-di(nonyl)cyclopentane?
1,1-di(nonyl)cyclopentane has a molecular weight of 322.62 g/mol, XLogP of 8.83, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(nonyl)cyclopentane is sourced from PubChem (CID 154318487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).