3,7,11-trimethyl-10-oxododecanoic acid

C15H28O3 — CID 11043372

IUPAC3,7,11-trimethyl-10-oxododecanoic acid
SMILESCC(CCCC(C)CC(=O)O)CCC(=O)C(C)C
InChIInChI=1S/C15H28O3/c1-11(2)14(16)9-8-12(3)6-5-7-13(4)10-15(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyADXMPKRQVCZMLZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.91
Rot. Bonds10

About 3,7,11-trimethyl-10-oxododecanoic acid

3,7,11-trimethyl-10-oxododecanoic acid (PubChem CID 11043372) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,7,11-trimethyl-10-oxododecanoic acid.

Molecular Properties

Compound Name3,7,11-trimethyl-10-oxododecanoic acid
PubChem CID11043372
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name3,7,11-trimethyl-10-oxododecanoic acid
SMILESCC(CCCC(C)CC(=O)O)CCC(=O)C(C)C
InChIInChI=1S/C15H28O3/c1-11(2)14(16)9-8-12(3)6-5-7-13(4)10-15(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyADXMPKRQVCZMLZ-UHFFFAOYSA-N
XLogP3.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-10-oxododecanoic acid?
The IUPAC name of 3,7,11-trimethyl-10-oxododecanoic acid (CID 11043372) is 3,7,11-trimethyl-10-oxododecanoic acid.
What is the SMILES notation for 3,7,11-trimethyl-10-oxododecanoic acid?
The canonical SMILES for 3,7,11-trimethyl-10-oxododecanoic acid is CC(CCCC(C)CC(=O)O)CCC(=O)C(C)C.
What is the InChIKey of 3,7,11-trimethyl-10-oxododecanoic acid?
The InChIKey is ADXMPKRQVCZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-11(2)14(16)9-8-12(3)6-5-7-13(4)10-15(17)18/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3,7,11-trimethyl-10-oxododecanoic acid?
3,7,11-trimethyl-10-oxododecanoic acid has a molecular weight of 256.39 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-10-oxododecanoic acid is sourced from PubChem (CID 11043372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).