nonadeca-10,12-diynoic acid

C19H30O2 — CID 89160943

IUPACnonadeca-10,12-diynoic acid
SMILESCCCCCCC#CC#CCCCCCCCCC(=O)O
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-6,11-18H2,1H3,(H,20,21)
InChIKeyGDMLRJSMDATKEO-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.17
Rot. Bonds12

About nonadeca-10,12-diynoic acid

nonadeca-10,12-diynoic acid (PubChem CID 89160943) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is nonadeca-10,12-diynoic acid.

Molecular Properties

Compound Namenonadeca-10,12-diynoic acid
PubChem CID89160943
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Namenonadeca-10,12-diynoic acid
SMILESCCCCCCC#CC#CCCCCCCCCC(=O)O
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-6,11-18H2,1H3,(H,20,21)
InChIKeyGDMLRJSMDATKEO-UHFFFAOYSA-N
XLogP5.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadeca-8,10-diynoic acid
CID 5312666
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
hentriaconta-12,14-diynoic acid
CID 134916943
heptadeca-6,8-diynoic acid
CID 86161368
acetylene;pentacosa-10,12-diynoic acid
CID 157131898
docosa-4,6-diynoic acid
CID 155657987
docosa-7,15-diynoic acid
CID 87546312
dotriacont-13-ynoic acid
CID 16654690
pentacos-6-ynoic acid
CID 71542375
dodec-6-ynoic acid
CID 5312609
tricosa-10,12-diynedioic acid
CID 3516470

Frequently Asked Questions

What is the IUPAC name of nonadeca-10,12-diynoic acid?
The IUPAC name of nonadeca-10,12-diynoic acid (CID 89160943) is nonadeca-10,12-diynoic acid.
What is the SMILES notation for nonadeca-10,12-diynoic acid?
The canonical SMILES for nonadeca-10,12-diynoic acid is CCCCCCC#CC#CCCCCCCCCC(=O)O.
What is the InChIKey of nonadeca-10,12-diynoic acid?
The InChIKey is GDMLRJSMDATKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-6,11-18H2,1H3,(H,20,21).
What are the key properties of nonadeca-10,12-diynoic acid?
nonadeca-10,12-diynoic acid has a molecular weight of 290.45 g/mol, XLogP of 5.17, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-10,12-diynoic acid is sourced from PubChem (CID 89160943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).