deca-2,8-dien-4,6-diynyl acetate

C12H12O2 — CID 71436340

IUPACdeca-2,8-dien-4,6-diynyl acetate
SMILESCC=CC#CC#CC=CCOC(C)=O
InChIInChI=1S/C12H12O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4,9-10H,11H2,1-2H3
InChIKeyUMCLGRSXAWVDFB-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.69
Rot. Bonds2

About deca-2,8-dien-4,6-diynyl acetate

deca-2,8-dien-4,6-diynyl acetate (PubChem CID 71436340) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is deca-2,8-dien-4,6-diynyl acetate.

Molecular Properties

Compound Namedeca-2,8-dien-4,6-diynyl acetate
PubChem CID71436340
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namedeca-2,8-dien-4,6-diynyl acetate
SMILESCC=CC#CC#CC=CCOC(C)=O
InChIInChI=1S/C12H12O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4,9-10H,11H2,1-2H3
InChIKeyUMCLGRSXAWVDFB-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.69
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

Allyl acetate
CID 11584
Butyl crotonate
CID 5366039
Sorbyl acetate
CID 5363491
2,4-Hexadienyl propionate, (2E,4E)-
CID 6386721
(2Z)-but-2-ene-1,4-diyl diacetate
CID 643799
2-Buten-1-ol, 1-acetate, (2E)-
CID 5363082
But-2-ene-1,4-diyl diacetate
CID 638131
2-Octynoic acid, 2-propen-1-yl ester
CID 155771
(2Z,8Z)-Matricaria Acid Methyl Ester
CID 5319306
(E,Z)-Marticaria ester
CID 6443002
2-Butene-1,4-diol diacetate
CID 140402
(E)-2-Butenyl butyrate
CID 5366242

Frequently Asked Questions

What is the IUPAC name of deca-2,8-dien-4,6-diynyl acetate?
The IUPAC name of deca-2,8-dien-4,6-diynyl acetate (CID 71436340) is deca-2,8-dien-4,6-diynyl acetate.
What is the SMILES notation for deca-2,8-dien-4,6-diynyl acetate?
The canonical SMILES for deca-2,8-dien-4,6-diynyl acetate is CC=CC#CC#CC=CCOC(C)=O.
What is the InChIKey of deca-2,8-dien-4,6-diynyl acetate?
The InChIKey is UMCLGRSXAWVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4,9-10H,11H2,1-2H3.
What are the key properties of deca-2,8-dien-4,6-diynyl acetate?
deca-2,8-dien-4,6-diynyl acetate has a molecular weight of 188.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-2,8-dien-4,6-diynyl acetate is sourced from PubChem (CID 71436340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).