1-tridecoxypropan-2-ol

C16H34O2 — CID 19798268

IUPAC1-tridecoxypropan-2-ol
SMILESCCCCCCCCCCCCCOCC(C)O
InChIInChI=1S/C16H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16(2)17/h16-17H,3-15H2,1-2H3
InChIKeyWPKVUJUBLUTAAQ-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.69
Rot. Bonds14

About 1-tridecoxypropan-2-ol

1-tridecoxypropan-2-ol (PubChem CID 19798268) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-tridecoxypropan-2-ol.

Molecular Properties

Compound Name1-tridecoxypropan-2-ol
PubChem CID19798268
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1-tridecoxypropan-2-ol
SMILESCCCCCCCCCCCCCOCC(C)O
InChIInChI=1S/C16H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16(2)17/h16-17H,3-15H2,1-2H3
InChIKeyWPKVUJUBLUTAAQ-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tridecoxypropan-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

Related Compounds

(2S)-1-octoxypropan-2-ol
CID 55250295
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
(2S)-1-butoxypropan-2-ol
CID 54289557
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
CID 169296789
(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127

Frequently Asked Questions

What is the IUPAC name of 1-tridecoxypropan-2-ol?
The IUPAC name of 1-tridecoxypropan-2-ol (CID 19798268) is 1-tridecoxypropan-2-ol.
What is the SMILES notation for 1-tridecoxypropan-2-ol?
The canonical SMILES for 1-tridecoxypropan-2-ol is CCCCCCCCCCCCCOCC(C)O.
What is the InChIKey of 1-tridecoxypropan-2-ol?
The InChIKey is WPKVUJUBLUTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16(2)17/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-tridecoxypropan-2-ol?
1-tridecoxypropan-2-ol has a molecular weight of 258.45 g/mol, XLogP of 4.69, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecoxypropan-2-ol is sourced from PubChem (CID 19798268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).