1,1-dipentylcyclononane

C19H38 — CID 169026027

IUPAC1,1-dipentylcyclononane
SMILESCCCCCC1(CCCCC)CCCCCCCC1
InChIInChI=1S/C19H38/c1-3-5-11-15-19(16-12-6-4-2)17-13-9-7-8-10-14-18-19/h3-18H2,1-2H3
InChIKeyXQVIPHFLYODTDE-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.27
Rot. Bonds8

About 1,1-dipentylcyclononane

1,1-dipentylcyclononane (PubChem CID 169026027) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1,1-dipentylcyclononane.

Molecular Properties

Compound Name1,1-dipentylcyclononane
PubChem CID169026027
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1,1-dipentylcyclononane
SMILESCCCCCC1(CCCCC)CCCCCCCC1
InChIInChI=1S/C19H38/c1-3-5-11-15-19(16-12-6-4-2)17-13-9-7-8-10-14-18-19/h3-18H2,1-2H3
InChIKeyXQVIPHFLYODTDE-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.27
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-di(nonyl)cyclopentane
CID 154318487
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
(1-hexylcyclohexyl)methanol
CID 66024993
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
(1-pentylcyclopentyl)methanamine
CID 62725889
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
1-(9-isocyanatononyl)-1-pentylcyclohexane
CID 21257289

Frequently Asked Questions

What is the IUPAC name of 1,1-dipentylcyclononane?
The IUPAC name of 1,1-dipentylcyclononane (CID 169026027) is 1,1-dipentylcyclononane.
What is the SMILES notation for 1,1-dipentylcyclononane?
The canonical SMILES for 1,1-dipentylcyclononane is CCCCCC1(CCCCC)CCCCCCCC1.
What is the InChIKey of 1,1-dipentylcyclononane?
The InChIKey is XQVIPHFLYODTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-3-5-11-15-19(16-12-6-4-2)17-13-9-7-8-10-14-18-19/h3-18H2,1-2H3.
What are the key properties of 1,1-dipentylcyclononane?
1,1-dipentylcyclononane has a molecular weight of 266.51 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipentylcyclononane is sourced from PubChem (CID 169026027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).