6-methyl-8-oxo-3-prop-1-en-2-ylnonanal

C13H22O2 — CID 162415960

IUPAC6-methyl-8-oxo-3-prop-1-en-2-ylnonanal
SMILESC=C(C)C(CC=O)CCC(C)CC(C)=O
InChIInChI=1S/C13H22O2/c1-10(2)13(7-8-14)6-5-11(3)9-12(4)15/h8,11,13H,1,5-7,9H2,2-4H3
InChIKeyANFSJSSMOOEQHH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.16
Rot. Bonds8

About 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal

6-methyl-8-oxo-3-prop-1-en-2-ylnonanal (PubChem CID 162415960) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal.

Molecular Properties

Compound Name6-methyl-8-oxo-3-prop-1-en-2-ylnonanal
PubChem CID162415960
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name6-methyl-8-oxo-3-prop-1-en-2-ylnonanal
SMILESC=C(C)C(CC=O)CCC(C)CC(C)=O
InChIInChI=1S/C13H22O2/c1-10(2)13(7-8-14)6-5-11(3)9-12(4)15/h8,11,13H,1,5-7,9H2,2-4H3
InChIKeyANFSJSSMOOEQHH-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6,10,14-Trimethyl-2-methylenepentadecanal
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2-(2-Methyl-2-propenyl)cyclododecan-1-one
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2-Methylundec-10-enal
CID 547085
alpha-Citronellal, (S)-
CID 72941617
4,8-Dimethylnon-8-enal
CID 129749352
3,7-Dimethyl-2-(3-oxobutyl)oct-6-enal
CID 11424632
(2R,6R,10R,13R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione
CID 14218836
(2R,6S,10R,13R)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradecane-1,4,9-trione
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal?
The IUPAC name of 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal (CID 162415960) is 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal.
What is the SMILES notation for 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal?
The canonical SMILES for 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal is C=C(C)C(CC=O)CCC(C)CC(C)=O.
What is the InChIKey of 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal?
The InChIKey is ANFSJSSMOOEQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)13(7-8-14)6-5-11(3)9-12(4)15/h8,11,13H,1,5-7,9H2,2-4H3.
What are the key properties of 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal?
6-methyl-8-oxo-3-prop-1-en-2-ylnonanal has a molecular weight of 210.32 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-oxo-3-prop-1-en-2-ylnonanal is sourced from PubChem (CID 162415960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).