1,1-diacetyloxynon-2-en-4-yl acetate

C15H24O6 — CID 74332127

IUPAC1,1-diacetyloxynon-2-en-4-yl acetate
SMILESCCCCCC(C=CC(OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O6/c1-5-6-7-8-14(19-11(2)16)9-10-15(20-12(3)17)21-13(4)18/h9-10,14-15H,5-8H2,1-4H3
InChIKeySWDNMAAZZHEOMW-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.51
Rot. Bonds9

About 1,1-diacetyloxynon-2-en-4-yl acetate

1,1-diacetyloxynon-2-en-4-yl acetate (PubChem CID 74332127) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1,1-diacetyloxynon-2-en-4-yl acetate.

Molecular Properties

Compound Name1,1-diacetyloxynon-2-en-4-yl acetate
PubChem CID74332127
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1,1-diacetyloxynon-2-en-4-yl acetate
SMILESCCCCCC(C=CC(OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O6/c1-5-6-7-8-14(19-11(2)16)9-10-15(20-12(3)17)21-13(4)18/h9-10,14-15H,5-8H2,1-4H3
InChIKeySWDNMAAZZHEOMW-UHFFFAOYSA-N
XLogP2.51
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
CID 24848729
(3-acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388310
(3E,6R,9E,12S,14R)-12-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 11688193
2-Cycloheptenyl acetate
CID 11008137
Cyclohept-2-enyl methyl carbonate
CID 11378741
methyl (E)-9,9-dimethoxynon-2-enoate
CID 11746444
Cyclododec-2-en-1-yl acetate
CID 12794161
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
[(E)-1-acetyloxyhex-2-enyl] acetate
CID 15534444
4-Acetoxy-2-nonene
CID 21317666
(3E,6R,9E,11R,14R)-11-(methoxymethoxy)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 44604189

Frequently Asked Questions

What is the IUPAC name of 1,1-diacetyloxynon-2-en-4-yl acetate?
The IUPAC name of 1,1-diacetyloxynon-2-en-4-yl acetate (CID 74332127) is 1,1-diacetyloxynon-2-en-4-yl acetate.
What is the SMILES notation for 1,1-diacetyloxynon-2-en-4-yl acetate?
The canonical SMILES for 1,1-diacetyloxynon-2-en-4-yl acetate is CCCCCC(C=CC(OC(C)=O)OC(C)=O)OC(C)=O.
What is the InChIKey of 1,1-diacetyloxynon-2-en-4-yl acetate?
The InChIKey is SWDNMAAZZHEOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-5-6-7-8-14(19-11(2)16)9-10-15(20-12(3)17)21-13(4)18/h9-10,14-15H,5-8H2,1-4H3.
What are the key properties of 1,1-diacetyloxynon-2-en-4-yl acetate?
1,1-diacetyloxynon-2-en-4-yl acetate has a molecular weight of 300.35 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diacetyloxynon-2-en-4-yl acetate is sourced from PubChem (CID 74332127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).