10-acetyloxydeca-2,8-dien-4,6-diynyl acetate

C14H14O4 — CID 162987135

IUPAC10-acetyloxydeca-2,8-dien-4,6-diynyl acetate
SMILESCC(=O)OCC=CC#CC#CC=CCOC(C)=O
InChIInChI=1S/C14H14O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h7-10H,11-12H2,1-2H3
InChIKeyDADBEGIQJYIBBH-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.23
Rot. Bonds4

About 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate

10-acetyloxydeca-2,8-dien-4,6-diynyl acetate (PubChem CID 162987135) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate.

Molecular Properties

Compound Name10-acetyloxydeca-2,8-dien-4,6-diynyl acetate
PubChem CID162987135
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name10-acetyloxydeca-2,8-dien-4,6-diynyl acetate
SMILESCC(=O)OCC=CC#CC#CC=CCOC(C)=O
InChIInChI=1S/C14H14O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h7-10H,11-12H2,1-2H3
InChIKeyDADBEGIQJYIBBH-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl fumarate
CID 638144
Diethyl Maleate
CID 5271566
Diallyl maleate
CID 5354266
Sorbyl acetate
CID 5363491
Diallyl fumarate
CID 5355330
2,4-Hexadienyl propionate, (2E,4E)-
CID 6386721
(2Z)-but-2-ene-1,4-diyl diacetate
CID 643799
Diallyl but-2-enedioate
CID 76050
2-Buten-1-ol, 1-acetate, (2E)-
CID 5363082
But-2-ene-1,4-diyl diacetate
CID 638131
(2Z,8Z)-Matricaria Acid Methyl Ester
CID 5319306
(E,Z)-Marticaria ester
CID 6443002

Frequently Asked Questions

What is the IUPAC name of 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate?
The IUPAC name of 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate (CID 162987135) is 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate.
What is the SMILES notation for 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate?
The canonical SMILES for 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate is CC(=O)OCC=CC#CC#CC=CCOC(C)=O.
What is the InChIKey of 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate?
The InChIKey is DADBEGIQJYIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h7-10H,11-12H2,1-2H3.
What are the key properties of 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate?
10-acetyloxydeca-2,8-dien-4,6-diynyl acetate has a molecular weight of 246.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyloxydeca-2,8-dien-4,6-diynyl acetate is sourced from PubChem (CID 162987135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).