1,1-dioctylcyclopentane

C21H42 — CID 54295272

IUPAC1,1-dioctylcyclopentane
SMILESCCCCCCCCC1(CCCCCCCC)CCCC1
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-17-21(19-15-16-20-21)18-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeySAJGWEGASJCRTM-UHFFFAOYSA-N
MW294.57 g/mol
LogP8.05
Rot. Bonds14

About 1,1-dioctylcyclopentane

1,1-dioctylcyclopentane (PubChem CID 54295272) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 1,1-dioctylcyclopentane.

Molecular Properties

Compound Name1,1-dioctylcyclopentane
PubChem CID54295272
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name1,1-dioctylcyclopentane
SMILESCCCCCCCCC1(CCCCCCCC)CCCC1
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-17-21(19-15-16-20-21)18-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeySAJGWEGASJCRTM-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.05
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-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
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-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
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-dioctylcyclopentane?
The IUPAC name of 1,1-dioctylcyclopentane (CID 54295272) is 1,1-dioctylcyclopentane.
What is the SMILES notation for 1,1-dioctylcyclopentane?
The canonical SMILES for 1,1-dioctylcyclopentane is CCCCCCCCC1(CCCCCCCC)CCCC1.
What is the InChIKey of 1,1-dioctylcyclopentane?
The InChIKey is SAJGWEGASJCRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-3-5-7-9-11-13-17-21(19-15-16-20-21)18-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 1,1-dioctylcyclopentane?
1,1-dioctylcyclopentane has a molecular weight of 294.57 g/mol, XLogP of 8.05, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioctylcyclopentane is sourced from PubChem (CID 54295272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).