1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate

C15H24O4 — CID 85361655

IUPAC1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate
SMILESCCCCC(C=CCC1OC(=O)CC1C)OC(C)=O
InChIInChI=1S/C15H24O4/c1-4-5-7-13(18-12(3)16)8-6-9-14-11(2)10-15(17)19-14/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3
InChIKeyFZGIAQXFGBDFII-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.01
Rot. Bonds7

About 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate

1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate (PubChem CID 85361655) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate.

Molecular Properties

Compound Name1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate
PubChem CID85361655
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate
SMILESCCCCC(C=CCC1OC(=O)CC1C)OC(C)=O
InChIInChI=1S/C15H24O4/c1-4-5-7-13(18-12(3)16)8-6-9-14-11(2)10-15(17)19-14/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3
InChIKeyFZGIAQXFGBDFII-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Costunolide
CID 5281437
Cyclodeca(b)furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS-(3aR*,6E,10E,11aS*))-
CID 6436243
(6Z,10Z)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5367559
Cembratetraene-16,2:19,6-diolide
CID 23815258
Ovatodiolide
CID 38347030
6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 556919
3,7,11,15(17)-Cembratetraene-16,2:19,6-diolide
CID 6451060
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829
(3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5458201
(3aR,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 10040485
Trans-eldanolide
CID 11008321
6-Oxabicyclo[3.2.1]oct-3-en-7-one
CID 376759

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate?
The IUPAC name of 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate (CID 85361655) is 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate.
What is the SMILES notation for 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate?
The canonical SMILES for 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate is CCCCC(C=CCC1OC(=O)CC1C)OC(C)=O.
What is the InChIKey of 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate?
The InChIKey is FZGIAQXFGBDFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-5-7-13(18-12(3)16)8-6-9-14-11(2)10-15(17)19-14/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate?
1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate has a molecular weight of 268.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-oxooxolan-2-yl)oct-2-en-4-yl acetate is sourced from PubChem (CID 85361655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).