9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal

C24H44O2 — CID 161307908

IUPAC9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal
SMILESCC1CCC(CCCCCCCCC=O)(CCCCCCCCC=O)C1
InChIInChI=1S/C24H44O2/c1-23-16-19-24(22-23,17-12-8-4-2-6-10-14-20-25)18-13-9-5-3-7-11-15-21-26/h20-21,23H,2-19,22H2,1H3
InChIKeyZNVYTGYJVZZJRZ-UHFFFAOYSA-N
MW364.61 g/mol
LogP7.43
Rot. Bonds18

About 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal

9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal (PubChem CID 161307908) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal.

Molecular Properties

Compound Name9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal
PubChem CID161307908
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal
SMILESCC1CCC(CCCCCCCCC=O)(CCCCCCCCC=O)C1
InChIInChI=1S/C24H44O2/c1-23-16-19-24(22-23,17-12-8-4-2-6-10-14-20-25)18-13-9-5-3-7-11-15-21-26/h20-21,23H,2-19,22H2,1H3
InChIKeyZNVYTGYJVZZJRZ-UHFFFAOYSA-N
XLogP7.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
CID 140956876
3-(1,4-dimethylcyclohexyl)propanal
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5-[5-(3-methylcyclohexyl)-2,4,6-trioxo-1,3-diazinan-5-yl]pentanal
CID 57097105
5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
CID 87388406
pentadecanedial
CID 22887412
1,1-dibutyl-4-methylcyclohexane
CID 147112544
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
5-(1-hydroxycyclopentyl)pentanal
CID 170984660
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
1-hexyl-3-methylcyclopentane-1-carbonitrile
CID 65403275

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal?
The IUPAC name of 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal (CID 161307908) is 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal.
What is the SMILES notation for 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal?
The canonical SMILES for 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal is CC1CCC(CCCCCCCCC=O)(CCCCCCCCC=O)C1.
What is the InChIKey of 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal?
The InChIKey is ZNVYTGYJVZZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-23-16-19-24(22-23,17-12-8-4-2-6-10-14-20-25)18-13-9-5-3-7-11-15-21-26/h20-21,23H,2-19,22H2,1H3.
What are the key properties of 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal?
9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal has a molecular weight of 364.61 g/mol, XLogP of 7.43, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal is sourced from PubChem (CID 161307908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).