10-acetyloxydec-8-en-4,6-diynyl acetate

C14H16O4 — CID 162897988

IUPAC10-acetyloxydec-8-en-4,6-diynyl acetate
SMILESCC(=O)OCC=CC#CC#CCCCOC(C)=O
InChIInChI=1S/C14H16O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h7,9H,8,10-12H2,1-2H3
InChIKeyCJMRVYJARYYDRN-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.46
Rot. Bonds5

About 10-acetyloxydec-8-en-4,6-diynyl acetate

10-acetyloxydec-8-en-4,6-diynyl acetate (PubChem CID 162897988) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 10-acetyloxydec-8-en-4,6-diynyl acetate.

Molecular Properties

Compound Name10-acetyloxydec-8-en-4,6-diynyl acetate
PubChem CID162897988
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name10-acetyloxydec-8-en-4,6-diynyl acetate
SMILESCC(=O)OCC=CC#CC#CCCCOC(C)=O
InChIInChI=1S/C14H16O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h7,9H,8,10-12H2,1-2H3
InChIKeyCJMRVYJARYYDRN-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-acetyloxydec-8-en-4,6-diynyl acetate?
The IUPAC name of 10-acetyloxydec-8-en-4,6-diynyl acetate (CID 162897988) is 10-acetyloxydec-8-en-4,6-diynyl acetate.
What is the SMILES notation for 10-acetyloxydec-8-en-4,6-diynyl acetate?
The canonical SMILES for 10-acetyloxydec-8-en-4,6-diynyl acetate is CC(=O)OCC=CC#CC#CCCCOC(C)=O.
What is the InChIKey of 10-acetyloxydec-8-en-4,6-diynyl acetate?
The InChIKey is CJMRVYJARYYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h7,9H,8,10-12H2,1-2H3.
What are the key properties of 10-acetyloxydec-8-en-4,6-diynyl acetate?
10-acetyloxydec-8-en-4,6-diynyl acetate has a molecular weight of 248.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyloxydec-8-en-4,6-diynyl acetate is sourced from PubChem (CID 162897988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).