acetic acid;tridecan-2-ol

C15H32O3 — CID 71339808

IUPACacetic acid;tridecan-2-ol
SMILESCC(=O)O.CCCCCCCCCCCC(C)O
InChIInChI=1S/C13H28O.C2H4O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4)
InChIKeyKJMSMYHSKXBDSF-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.38
Rot. Bonds10

About acetic acid;tridecan-2-ol

acetic acid;tridecan-2-ol (PubChem CID 71339808) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is acetic acid;tridecan-2-ol.

Molecular Properties

Compound Nameacetic acid;tridecan-2-ol
PubChem CID71339808
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Nameacetic acid;tridecan-2-ol
SMILESCC(=O)O.CCCCCCCCCCCC(C)O
InChIInChI=1S/C13H28O.C2H4O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4)
InChIKeyKJMSMYHSKXBDSF-UHFFFAOYSA-N
XLogP4.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549
heptan-2-ol;hydroxylamine
CID 88625997

Frequently Asked Questions

What is the IUPAC name of acetic acid;tridecan-2-ol?
The IUPAC name of acetic acid;tridecan-2-ol (CID 71339808) is acetic acid;tridecan-2-ol.
What is the SMILES notation for acetic acid;tridecan-2-ol?
The canonical SMILES for acetic acid;tridecan-2-ol is CC(=O)O.CCCCCCCCCCCC(C)O.
What is the InChIKey of acetic acid;tridecan-2-ol?
The InChIKey is KJMSMYHSKXBDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C2H4O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;tridecan-2-ol?
acetic acid;tridecan-2-ol has a molecular weight of 260.42 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tridecan-2-ol is sourced from PubChem (CID 71339808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).