(E)-10-hydroxydec-2-en-4,6,8-triynoic acid

C10H6O3 — CID 101411203

IUPAC(E)-10-hydroxydec-2-en-4,6,8-triynoic acid
SMILESO=C(O)/C=C/C#CC#CC#CCO
InChIInChI=1S/C10H6O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,9H2,(H,12,13)/b8-6+
InChIKeySQGFWQFCUSBJRC-SOFGYWHQSA-N
MW174.15 g/mol
LogP-0.37
Rot. Bonds1

About (E)-10-hydroxydec-2-en-4,6,8-triynoic acid

(E)-10-hydroxydec-2-en-4,6,8-triynoic acid (PubChem CID 101411203) has the molecular formula C10H6O3 and a molecular weight of 174.15 g/mol. Its IUPAC name is (E)-10-hydroxydec-2-en-4,6,8-triynoic acid.

Molecular Properties

Compound Name(E)-10-hydroxydec-2-en-4,6,8-triynoic acid
PubChem CID101411203
Molecular FormulaC10H6O3
Molecular Weight174.15 g/mol
Exact Mass174.03
IUPAC Name(E)-10-hydroxydec-2-en-4,6,8-triynoic acid
SMILESO=C(O)/C=C/C#CC#CC#CCO
InChIInChI=1S/C10H6O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,9H2,(H,12,13)/b8-6+
InChIKeySQGFWQFCUSBJRC-SOFGYWHQSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-dec-6-en-2,4-diyn-1-ol
CID 102504550
hexa-2,4-diyne-1,6-diol;methane
CID 159269770
(E)-6-methylhept-2-en-4-ynoic acid
CID 131243205
acetic acid;but-2-yne-1,4-diol;formic acid
CID 87346473
(E)-6-oxonon-2-en-4-ynoic acid
CID 131239844
(E)-7,7-diethoxyhept-2-en-4-ynoic acid
CID 15271861
1-O-ethyl 17-O-methyl heptadec-2-en-4,6,8,10,12,14-hexaynedioate
CID 58752564
(Z)-oct-4-en-2,6-diyne-1,8-diol
CID 10844431
tris(but-2-enedioic acid);ethane-1,2-diol
CID 158068742
tetrakis((Z)-but-2-enedioic acid);ethane-1,2-diol
CID 175057251
2-hydroxy-2-(5-hydroxypenta-1,3-diynyl)propanedioic acid
CID 152533869
dodeca-2,4,6,8,10-pentayn-1-ol
CID 153422692

Frequently Asked Questions

What is the IUPAC name of (E)-10-hydroxydec-2-en-4,6,8-triynoic acid?
The IUPAC name of (E)-10-hydroxydec-2-en-4,6,8-triynoic acid (CID 101411203) is (E)-10-hydroxydec-2-en-4,6,8-triynoic acid.
What is the SMILES notation for (E)-10-hydroxydec-2-en-4,6,8-triynoic acid?
The canonical SMILES for (E)-10-hydroxydec-2-en-4,6,8-triynoic acid is O=C(O)/C=C/C#CC#CC#CCO.
What is the InChIKey of (E)-10-hydroxydec-2-en-4,6,8-triynoic acid?
The InChIKey is SQGFWQFCUSBJRC-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H6O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,9H2,(H,12,13)/b8-6+.
What are the key properties of (E)-10-hydroxydec-2-en-4,6,8-triynoic acid?
(E)-10-hydroxydec-2-en-4,6,8-triynoic acid has a molecular weight of 174.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-hydroxydec-2-en-4,6,8-triynoic acid is sourced from PubChem (CID 101411203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).