dec-2-en-4,6-diynyl acetate

C12H14O2 — CID 78385189

IUPACdec-2-en-4,6-diynyl acetate
SMILESCCCC#CC#CC=CCOC(C)=O
InChIInChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3
InChIKeyMBPOFHHSNKUQAY-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.91
Rot. Bonds3

About dec-2-en-4,6-diynyl acetate

dec-2-en-4,6-diynyl acetate (PubChem CID 78385189) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is dec-2-en-4,6-diynyl acetate.

Molecular Properties

Compound Namedec-2-en-4,6-diynyl acetate
PubChem CID78385189
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namedec-2-en-4,6-diynyl acetate
SMILESCCCC#CC#CC=CCOC(C)=O
InChIInChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3
InChIKeyMBPOFHHSNKUQAY-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
ethyl (E)-6-acetyloxyhex-4-en-2-ynoate
CID 134977213
[(8E,10E,14S)-14-hydroxyheptadeca-8,10-dien-4,6-diynyl] acetate
CID 101424590
14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl acetate
CID 73196738
[(2E,8Z)-deca-2,8-dien-4,6-diynyl] 3-methylbut-2-enoate
CID 90470855
9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
CID 162900625
methyl (2E,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
CID 6475134
4-hydroxybut-2-enyl acetate
CID 54073989
14-acetyloxyheptadeca-8,10,12-trien-4,6-diynyl acetate
CID 54455185
(E)-dec-6-en-2,4-diyn-1-ol
CID 102504550
[(3R,6E,12E)-3-acetyloxytetradeca-6,12-dien-8,10-diynyl] acetate
CID 162971088

Frequently Asked Questions

What is the IUPAC name of dec-2-en-4,6-diynyl acetate?
The IUPAC name of dec-2-en-4,6-diynyl acetate (CID 78385189) is dec-2-en-4,6-diynyl acetate.
What is the SMILES notation for dec-2-en-4,6-diynyl acetate?
The canonical SMILES for dec-2-en-4,6-diynyl acetate is CCCC#CC#CC=CCOC(C)=O.
What is the InChIKey of dec-2-en-4,6-diynyl acetate?
The InChIKey is MBPOFHHSNKUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-4,11H2,1-2H3.
What are the key properties of dec-2-en-4,6-diynyl acetate?
dec-2-en-4,6-diynyl acetate has a molecular weight of 190.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-en-4,6-diynyl acetate is sourced from PubChem (CID 78385189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).