8,8-dimethyl-4,7-dioxononanoic acid

C11H18O4 — CID 121218227

IUPAC8,8-dimethyl-4,7-dioxononanoic acid
SMILESCC(C)(C)C(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C11H18O4/c1-11(2,3)9(13)6-4-8(12)5-7-10(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeySILIHQCBKALXHZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.82
Rot. Bonds6

About 8,8-dimethyl-4,7-dioxononanoic acid

8,8-dimethyl-4,7-dioxononanoic acid (PubChem CID 121218227) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 8,8-dimethyl-4,7-dioxononanoic acid.

Molecular Properties

Compound Name8,8-dimethyl-4,7-dioxononanoic acid
PubChem CID121218227
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name8,8-dimethyl-4,7-dioxononanoic acid
SMILESCC(C)(C)C(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C11H18O4/c1-11(2,3)9(13)6-4-8(12)5-7-10(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeySILIHQCBKALXHZ-UHFFFAOYSA-N
XLogP1.82
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
4,7-dioxononanoic acid
CID 131853038
1-[(4,4-dimethyl-3-oxopentyl)disulfanyl]-4,4-dimethylpentan-3-one
CID 118403333
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
4,7-dioxoundecanoic acid
CID 165359282
1-azido-6,6-dimethylheptane-2,5-dione
CID 171469981
[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)
CID 140897485
5,5,5-trifluoro-4-oxopentanoic acid
CID 20543330
8-amino-4,7-dioxooctanoic acid
CID 161356163
4,9-dioxodecanoic acid
CID 87255764
azane;butanedioic acid;methanol
CID 131741728
2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4,7-dioxononanoic acid?
The IUPAC name of 8,8-dimethyl-4,7-dioxononanoic acid (CID 121218227) is 8,8-dimethyl-4,7-dioxononanoic acid.
What is the SMILES notation for 8,8-dimethyl-4,7-dioxononanoic acid?
The canonical SMILES for 8,8-dimethyl-4,7-dioxononanoic acid is CC(C)(C)C(=O)CCC(=O)CCC(=O)O.
What is the InChIKey of 8,8-dimethyl-4,7-dioxononanoic acid?
The InChIKey is SILIHQCBKALXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2,3)9(13)6-4-8(12)5-7-10(14)15/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 8,8-dimethyl-4,7-dioxononanoic acid?
8,8-dimethyl-4,7-dioxononanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4,7-dioxononanoic acid is sourced from PubChem (CID 121218227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).