10-methyl-9-oxoundec-10-enal

C12H20O2 — CID 173103991

IUPAC10-methyl-9-oxoundec-10-enal
SMILESC=C(C)C(=O)CCCCCCCC=O
InChIInChI=1S/C12H20O2/c1-11(2)12(14)9-7-5-3-4-6-8-10-13/h10H,1,3-9H2,2H3
InChIKeyXGFPQGWOIBDJBI-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.06
Rot. Bonds9

About 10-methyl-9-oxoundec-10-enal

10-methyl-9-oxoundec-10-enal (PubChem CID 173103991) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 10-methyl-9-oxoundec-10-enal.

Molecular Properties

Compound Name10-methyl-9-oxoundec-10-enal
PubChem CID173103991
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name10-methyl-9-oxoundec-10-enal
SMILESC=C(C)C(=O)CCCCCCCC=O
InChIInChI=1S/C12H20O2/c1-11(2)12(14)9-7-5-3-4-6-8-10-13/h10H,1,3-9H2,2H3
InChIKeyXGFPQGWOIBDJBI-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.06
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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17-oxoheptadecanamide
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12-oxododecanamide
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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-oxoundec-10-enal?
The IUPAC name of 10-methyl-9-oxoundec-10-enal (CID 173103991) is 10-methyl-9-oxoundec-10-enal.
What is the SMILES notation for 10-methyl-9-oxoundec-10-enal?
The canonical SMILES for 10-methyl-9-oxoundec-10-enal is C=C(C)C(=O)CCCCCCCC=O.
What is the InChIKey of 10-methyl-9-oxoundec-10-enal?
The InChIKey is XGFPQGWOIBDJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)12(14)9-7-5-3-4-6-8-10-13/h10H,1,3-9H2,2H3.
What are the key properties of 10-methyl-9-oxoundec-10-enal?
10-methyl-9-oxoundec-10-enal has a molecular weight of 196.29 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-oxoundec-10-enal is sourced from PubChem (CID 173103991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).