tetradec-6-enedioic acid

C14H24O4 — CID 151545129

IUPACtetradec-6-enedioic acid
SMILESO=C(O)CCCCC=CCCCCCCC(=O)O
InChIInChI=1S/C14H24O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3H,2,4-12H2,(H,15,16)(H,17,18)
InChIKeyPZHGWQRREGWACM-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.61
Rot. Bonds12

About tetradec-6-enedioic acid

tetradec-6-enedioic acid (PubChem CID 151545129) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is tetradec-6-enedioic acid.

Molecular Properties

Compound Nametetradec-6-enedioic acid
PubChem CID151545129
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nametetradec-6-enedioic acid
SMILESO=C(O)CCCCC=CCCCCCCC(=O)O
InChIInChI=1S/C14H24O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3H,2,4-12H2,(H,15,16)(H,17,18)
InChIKeyPZHGWQRREGWACM-UHFFFAOYSA-N
XLogP3.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319
octadecanoic acid;bis((Z)-octadec-9-enoic acid)
CID 88752533

Frequently Asked Questions

What is the IUPAC name of tetradec-6-enedioic acid?
The IUPAC name of tetradec-6-enedioic acid (CID 151545129) is tetradec-6-enedioic acid.
What is the SMILES notation for tetradec-6-enedioic acid?
The canonical SMILES for tetradec-6-enedioic acid is O=C(O)CCCCC=CCCCCCCC(=O)O.
What is the InChIKey of tetradec-6-enedioic acid?
The InChIKey is PZHGWQRREGWACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3H,2,4-12H2,(H,15,16)(H,17,18).
What are the key properties of tetradec-6-enedioic acid?
tetradec-6-enedioic acid has a molecular weight of 256.34 g/mol, XLogP of 3.61, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-6-enedioic acid is sourced from PubChem (CID 151545129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).