dodeca-2,4-dien-8,10-diynoic acid

C12H12O2 — CID 91310253

IUPACdodeca-2,4-dien-8,10-diynoic acid
SMILESCC#CC#CCCC=CC=CC(=O)O
InChIInChI=1S/C12H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,6-7H2,1H3,(H,13,14)
InChIKeyCHMOVCBHXMZRDL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds4

About dodeca-2,4-dien-8,10-diynoic acid

dodeca-2,4-dien-8,10-diynoic acid (PubChem CID 91310253) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is dodeca-2,4-dien-8,10-diynoic acid.

Molecular Properties

Compound Namedodeca-2,4-dien-8,10-diynoic acid
PubChem CID91310253
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namedodeca-2,4-dien-8,10-diynoic acid
SMILESCC#CC#CCCC=CC=CC(=O)O
InChIInChI=1S/C12H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,6-7H2,1H3,(H,13,14)
InChIKeyCHMOVCBHXMZRDL-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid
CID 173038300
N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
CID 71337744
(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide;(2E,4E)-undeca-2,4-dien-8,10-diynoic acid
CID 160813359
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054
(Z)-dec-2-en-6,8-diyn-1-ol
CID 53344348
docosa-2,4,6,8-tetraen-18-ynoic acid
CID 141041074
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
triaconta-2,4-dienoic acid
CID 54201076
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
pentadeca-2,4-dienoic acid
CID 54493784

Frequently Asked Questions

What is the IUPAC name of dodeca-2,4-dien-8,10-diynoic acid?
The IUPAC name of dodeca-2,4-dien-8,10-diynoic acid (CID 91310253) is dodeca-2,4-dien-8,10-diynoic acid.
What is the SMILES notation for dodeca-2,4-dien-8,10-diynoic acid?
The canonical SMILES for dodeca-2,4-dien-8,10-diynoic acid is CC#CC#CCCC=CC=CC(=O)O.
What is the InChIKey of dodeca-2,4-dien-8,10-diynoic acid?
The InChIKey is CHMOVCBHXMZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,6-7H2,1H3,(H,13,14).
What are the key properties of dodeca-2,4-dien-8,10-diynoic acid?
dodeca-2,4-dien-8,10-diynoic acid has a molecular weight of 188.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-2,4-dien-8,10-diynoic acid is sourced from PubChem (CID 91310253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).