2-methyl-5-oxooctanal

C9H16O2 — CID 155026119

IUPAC2-methyl-5-oxooctanal
SMILESCCCC(=O)CCC(C)C=O
InChIInChI=1S/C9H16O2/c1-3-4-9(11)6-5-8(2)7-10/h7-8H,3-6H2,1-2H3
InChIKeyFQYDDYVUZWWYAX-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.97
Rot. Bonds6

About 2-methyl-5-oxooctanal

2-methyl-5-oxooctanal (PubChem CID 155026119) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-5-oxooctanal.

Molecular Properties

Compound Name2-methyl-5-oxooctanal
PubChem CID155026119
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-5-oxooctanal
SMILESCCCC(=O)CCC(C)C=O
InChIInChI=1S/C9H16O2/c1-3-4-9(11)6-5-8(2)7-10/h7-8H,3-6H2,1-2H3
InChIKeyFQYDDYVUZWWYAX-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
7-ethylnonan-4-one
CID 537776
6-ethyl-2-methyl-5-oxodecanal
CID 170308949
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
potassium;hydride;2-methylpentanal
CID 173401246
9-amino-7-methylnonan-4-one
CID 116581538
7-ethenyl-8-methyldecan-4-one
CID 176967408
2-methylpentanal;propanal
CID 23460116
(E)-2-methyl-5,8-dioxonon-6-enal
CID 58435612
(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide
CID 137393180
2-methyl-6-oxoheptanal
CID 14561323
(2R)-2-methyl-5-(4-methylphenyl)-5-oxopentanal
CID 102367867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxooctanal?
The IUPAC name of 2-methyl-5-oxooctanal (CID 155026119) is 2-methyl-5-oxooctanal.
What is the SMILES notation for 2-methyl-5-oxooctanal?
The canonical SMILES for 2-methyl-5-oxooctanal is CCCC(=O)CCC(C)C=O.
What is the InChIKey of 2-methyl-5-oxooctanal?
The InChIKey is FQYDDYVUZWWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-9(11)6-5-8(2)7-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-oxooctanal?
2-methyl-5-oxooctanal has a molecular weight of 156.22 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxooctanal is sourced from PubChem (CID 155026119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).