2-hydroxypentadeca-4,6-diynoic acid

C15H22O3 — CID 87615979

IUPAC2-hydroxypentadeca-4,6-diynoic acid
SMILESCCCCCCCCC#CC#CCC(O)C(=O)O
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-8,13H2,1H3,(H,17,18)
InChIKeyHENGSRGLLHLDPM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.58
Rot. Bonds8

About 2-hydroxypentadeca-4,6-diynoic acid

2-hydroxypentadeca-4,6-diynoic acid (PubChem CID 87615979) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-hydroxypentadeca-4,6-diynoic acid.

Molecular Properties

Compound Name2-hydroxypentadeca-4,6-diynoic acid
PubChem CID87615979
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-hydroxypentadeca-4,6-diynoic acid
SMILESCCCCCCCCC#CC#CCC(O)C(=O)O
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-8,13H2,1H3,(H,17,18)
InChIKeyHENGSRGLLHLDPM-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

carbonic acid;tetradec-7-yne
CID 90353944
docosa-4,6-diynoic acid
CID 155657987
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
hentriaconta-12,14-diynoic acid
CID 134916943
octadeca-8,10-diynoic acid
CID 5312666
heptadeca-6,8-diynoic acid
CID 86161368
nonadeca-10,12-diynoic acid
CID 89160943
ethyl 2-hydroxydec-4-ynoate
CID 101225070
dodeca-2,4-diyn-1-ol
CID 11816199
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
acetylene;pentacosa-10,12-diynoic acid
CID 157131898

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentadeca-4,6-diynoic acid?
The IUPAC name of 2-hydroxypentadeca-4,6-diynoic acid (CID 87615979) is 2-hydroxypentadeca-4,6-diynoic acid.
What is the SMILES notation for 2-hydroxypentadeca-4,6-diynoic acid?
The canonical SMILES for 2-hydroxypentadeca-4,6-diynoic acid is CCCCCCCCC#CC#CCC(O)C(=O)O.
What is the InChIKey of 2-hydroxypentadeca-4,6-diynoic acid?
The InChIKey is HENGSRGLLHLDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-8,13H2,1H3,(H,17,18).
What are the key properties of 2-hydroxypentadeca-4,6-diynoic acid?
2-hydroxypentadeca-4,6-diynoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentadeca-4,6-diynoic acid is sourced from PubChem (CID 87615979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).