1-decoxypropan-2-ol

C13H28O2 — CID 3043463

IUPAC1-decoxypropan-2-ol
SMILESCCCCCCCCCCOCC(C)O
InChIInChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h13-14H,3-12H2,1-2H3
InChIKeyGNIJLZHYBVVHMA-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.52
Rot. Bonds11

About 1-decoxypropan-2-ol

1-decoxypropan-2-ol (PubChem CID 3043463) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-decoxypropan-2-ol.

Molecular Properties

Compound Name1-decoxypropan-2-ol
PubChem CID3043463
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-decoxypropan-2-ol
SMILESCCCCCCCCCCOCC(C)O
InChIInChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h13-14H,3-12H2,1-2H3
InChIKeyGNIJLZHYBVVHMA-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-decoxypropan-2-ol 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 1-decoxypropan-2-ol?
The IUPAC name of 1-decoxypropan-2-ol (CID 3043463) is 1-decoxypropan-2-ol.
What is the SMILES notation for 1-decoxypropan-2-ol?
The canonical SMILES for 1-decoxypropan-2-ol is CCCCCCCCCCOCC(C)O.
What is the InChIKey of 1-decoxypropan-2-ol?
The InChIKey is GNIJLZHYBVVHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-decoxypropan-2-ol?
1-decoxypropan-2-ol has a molecular weight of 216.36 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxypropan-2-ol is sourced from PubChem (CID 3043463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).