tridecan-2-ol

C13H28O — CID 15449

IUPACtridecan-2-ol
SMILESCCCCCCCCCCCC(C)O
InChIInChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
InChIKeyHKOLRKVMHVYNGG-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.29
Rot. Bonds10

About tridecan-2-ol

tridecan-2-ol (PubChem CID 15449) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is tridecan-2-ol.

Molecular Properties

Compound Nametridecan-2-ol
PubChem CID15449
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Nametridecan-2-ol
SMILESCCCCCCCCCCCC(C)O
InChIInChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
InChIKeyHKOLRKVMHVYNGG-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tridecan-2-ol?
The IUPAC name of tridecan-2-ol (CID 15449) is tridecan-2-ol.
What is the SMILES notation for tridecan-2-ol?
The canonical SMILES for tridecan-2-ol is CCCCCCCCCCCC(C)O.
What is the InChIKey of tridecan-2-ol?
The InChIKey is HKOLRKVMHVYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3.
What are the key properties of tridecan-2-ol?
tridecan-2-ol has a molecular weight of 200.37 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridecan-2-ol is sourced from PubChem (CID 15449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).