methanol;tridecanedioic acid

C14H28O5 — CID 175511493

IUPACmethanol;tridecanedioic acid
SMILESCO.O=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4.CH4O/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;1-2/h1-11H2,(H,14,15)(H,16,17);2H,1H3
InChIKeyQPJLJRIBHYMAOX-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.06
Rot. Bonds12

About methanol;tridecanedioic acid

methanol;tridecanedioic acid (PubChem CID 175511493) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is methanol;tridecanedioic acid.

Molecular Properties

Compound Namemethanol;tridecanedioic acid
PubChem CID175511493
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Namemethanol;tridecanedioic acid
SMILESCO.O=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4.CH4O/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;1-2/h1-11H2,(H,14,15)(H,16,17);2H,1H3
InChIKeyQPJLJRIBHYMAOX-UHFFFAOYSA-N
XLogP3.06
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of methanol;tridecanedioic acid?
The IUPAC name of methanol;tridecanedioic acid (CID 175511493) is methanol;tridecanedioic acid.
What is the SMILES notation for methanol;tridecanedioic acid?
The canonical SMILES for methanol;tridecanedioic acid is CO.O=C(O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of methanol;tridecanedioic acid?
The InChIKey is QPJLJRIBHYMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.CH4O/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;1-2/h1-11H2,(H,14,15)(H,16,17);2H,1H3.
What are the key properties of methanol;tridecanedioic acid?
methanol;tridecanedioic acid has a molecular weight of 276.37 g/mol, XLogP of 3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;tridecanedioic acid is sourced from PubChem (CID 175511493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).