8-methyl-7-oxodecanoic acid

C11H20O3 — CID 121216549

IUPAC8-methyl-7-oxodecanoic acid
SMILESCCC(C)C(=O)CCCCCC(=O)O
InChIInChI=1S/C11H20O3/c1-3-9(2)10(12)7-5-4-6-8-11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyMUBYOLQEILZSKN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.64
Rot. Bonds8

About 8-methyl-7-oxodecanoic acid

8-methyl-7-oxodecanoic acid (PubChem CID 121216549) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 8-methyl-7-oxodecanoic acid.

Molecular Properties

Compound Name8-methyl-7-oxodecanoic acid
PubChem CID121216549
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name8-methyl-7-oxodecanoic acid
SMILESCCC(C)C(=O)CCCCCC(=O)O
InChIInChI=1S/C11H20O3/c1-3-9(2)10(12)7-5-4-6-8-11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyMUBYOLQEILZSKN-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 21365481
9-methylundecane-2,8-dione
CID 178033213
11-amino-3-methylundecan-4-one
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7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
15-(dimethylamino)-3-methylpentadecan-4-one
CID 143840613
(10R,11S)-10,11-dihydroxy-9,12-dioxooctadecanoic acid
CID 92856024
3-methyl-4-oxopentadecanoic acid
CID 58687449
(8S)-8-amino-7-oxononanoic acid chloride
CID 91885982
(18R)-18-methylicosanoic acid
CID 71587706
bis(hexanedioic acid);propane-1,1-diol
CID 157289592
ethane-1,1-diol;hexanedioic acid
CID 160553867
methanol;tridecanedioic acid
CID 175511493

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-oxodecanoic acid?
The IUPAC name of 8-methyl-7-oxodecanoic acid (CID 121216549) is 8-methyl-7-oxodecanoic acid.
What is the SMILES notation for 8-methyl-7-oxodecanoic acid?
The canonical SMILES for 8-methyl-7-oxodecanoic acid is CCC(C)C(=O)CCCCCC(=O)O.
What is the InChIKey of 8-methyl-7-oxodecanoic acid?
The InChIKey is MUBYOLQEILZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-9(2)10(12)7-5-4-6-8-11(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 8-methyl-7-oxodecanoic acid?
8-methyl-7-oxodecanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-oxodecanoic acid is sourced from PubChem (CID 121216549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).