4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one

C15H24O3 — CID 91748426

IUPAC4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one
SMILESCC(C)=CCC/C(C)=C/COC1CC(=O)OC1C
InChIInChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-15(16)18-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3/b12-8+
InChIKeyLHKUAUJLJDLCKN-XYOKQWHBSA-N
MW252.35 g/mol
LogP3.40
Rot. Bonds6

About 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one

4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one (PubChem CID 91748426) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one.

Molecular Properties

Compound Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one
PubChem CID91748426
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one
SMILESCC(C)=CCC/C(C)=C/COC1CC(=O)OC1C
InChIInChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-15(16)18-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3/b12-8+
InChIKeyLHKUAUJLJDLCKN-XYOKQWHBSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(z)-5-Decen-4-olide
CID 129847954
2(3H)-Furanone, 5-(1,3-dimethyl-1-buten-1-yl)dihydro-
CID 106804
4,4-Dimethyl-5-(2-methylprop-1-en-1-yl)oxolan-2-one
CID 14174440
5-(2-Methylprop-1-enyl)oxolan-2-one
CID 14202322
(5S)-5-(2-methylprop-1-enyl)oxolan-2-one
CID 16753095
(5S)-3,3-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 122378137
(3aS,8aS)-5,5,8a-trimethyl-3a,6-dihydro-3H-furo[3,2-b]oxepin-2-one
CID 139049676
(3E,5R)-5-methyl-3-pentylideneoxolan-2-one
CID 164676301
5-(1,3-Dimethyl-1-butenyl)dihydrofuran-2(3H)-one
CID 6437259
[10-[4-Acetyloxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] 2-methylprop-2-enoate
CID 162885781
(5R)-5-methyl-3-methylidene-4-prop-2-enoxyoxolan-2-one
CID 10080763
(5S)-5-methyl-3-methylidene-4-prop-2-enoxyoxolan-2-one
CID 10103540

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one?
The IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one (CID 91748426) is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one.
What is the SMILES notation for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one?
The canonical SMILES for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one is CC(C)=CCC/C(C)=C/COC1CC(=O)OC1C.
What is the InChIKey of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one?
The InChIKey is LHKUAUJLJDLCKN-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-15(16)18-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3/b12-8+.
What are the key properties of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one?
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one has a molecular weight of 252.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-methyloxolan-2-one is sourced from PubChem (CID 91748426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).