8-methyldecan-2-ol;propanoic acid

C14H30O3 — CID 71407379

IUPAC8-methyldecan-2-ol;propanoic acid
SMILESCCC(=O)O.CCC(C)CCCCCC(C)O
InChIInChI=1S/C11H24O.C3H6O2/c1-4-10(2)8-6-5-7-9-11(3)12;1-2-3(4)5/h10-12H,4-9H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyQSDDGUCZFFODTR-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.84
Rot. Bonds8

About 8-methyldecan-2-ol;propanoic acid

8-methyldecan-2-ol;propanoic acid (PubChem CID 71407379) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 8-methyldecan-2-ol;propanoic acid.

Molecular Properties

Compound Name8-methyldecan-2-ol;propanoic acid
PubChem CID71407379
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name8-methyldecan-2-ol;propanoic acid
SMILESCCC(=O)O.CCC(C)CCCCCC(C)O
InChIInChI=1S/C11H24O.C3H6O2/c1-4-10(2)8-6-5-7-9-11(3)12;1-2-3(4)5/h10-12H,4-9H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyQSDDGUCZFFODTR-UHFFFAOYSA-N
XLogP3.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyldecan-2-ol;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyldecan-2-ol;propanoic acid?
The IUPAC name of 8-methyldecan-2-ol;propanoic acid (CID 71407379) is 8-methyldecan-2-ol;propanoic acid.
What is the SMILES notation for 8-methyldecan-2-ol;propanoic acid?
The canonical SMILES for 8-methyldecan-2-ol;propanoic acid is CCC(=O)O.CCC(C)CCCCCC(C)O.
What is the InChIKey of 8-methyldecan-2-ol;propanoic acid?
The InChIKey is QSDDGUCZFFODTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.C3H6O2/c1-4-10(2)8-6-5-7-9-11(3)12;1-2-3(4)5/h10-12H,4-9H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of 8-methyldecan-2-ol;propanoic acid?
8-methyldecan-2-ol;propanoic acid has a molecular weight of 246.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyldecan-2-ol;propanoic acid is sourced from PubChem (CID 71407379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).