deca-7,9-diynoic acid

C10H12O2 — CID 23238817

IUPACdeca-7,9-diynoic acid
SMILESC#CC#CCCCCCC(=O)O
InChIInChI=1S/C10H12O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,5-9H2,(H,11,12)
InChIKeyPTYCUPDEYOZEEV-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.66
Rot. Bonds5

About deca-7,9-diynoic acid

deca-7,9-diynoic acid (PubChem CID 23238817) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is deca-7,9-diynoic acid.

Molecular Properties

Compound Namedeca-7,9-diynoic acid
PubChem CID23238817
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namedeca-7,9-diynoic acid
SMILESC#CC#CCCCCCC(=O)O
InChIInChI=1S/C10H12O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,5-9H2,(H,11,12)
InChIKeyPTYCUPDEYOZEEV-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.66
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

tricosa-10,12-diynedioic acid
CID 3516470
heptacosa-10,12,17-triynedioic acid
CID 4107670
tetracos-12-ynedioic acid
CID 14631215
acetylene;pentacosa-10,12-diynoic acid
CID 157131898
heptadec-16-ynoic acid
CID 5312626
heptadeca-6,8-diynoic acid
CID 86161368
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
hexadeca-11,13-diynoic acid
CID 87556166
nonadeca-10,12-diynoic acid
CID 89160943

Frequently Asked Questions

What is the IUPAC name of deca-7,9-diynoic acid?
The IUPAC name of deca-7,9-diynoic acid (CID 23238817) is deca-7,9-diynoic acid.
What is the SMILES notation for deca-7,9-diynoic acid?
The canonical SMILES for deca-7,9-diynoic acid is C#CC#CCCCCCC(=O)O.
What is the InChIKey of deca-7,9-diynoic acid?
The InChIKey is PTYCUPDEYOZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,5-9H2,(H,11,12).
What are the key properties of deca-7,9-diynoic acid?
deca-7,9-diynoic acid has a molecular weight of 164.20 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-7,9-diynoic acid is sourced from PubChem (CID 23238817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).