2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one

C10H16O4 — CID 18721088

IUPAC2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(C)=C1C
InChIInChI=1S/C10H16O4/c1-6-7(2)10(11)14-9(6)8(13-4)5-12-3/h8-9H,5H2,1-4H3
InChIKeyCVLMMXRJCYHALH-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.91
Rot. Bonds4

About 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one

2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one (PubChem CID 18721088) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one
PubChem CID18721088
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(C)=C1C
InChIInChI=1S/C10H16O4/c1-6-7(2)10(11)14-9(6)8(13-4)5-12-3/h8-9H,5H2,1-4H3
InChIKeyCVLMMXRJCYHALH-UHFFFAOYSA-N
XLogP0.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one
CID 14335215
[(2S)-3-methyl-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
CID 10856786
Oxiran-2-ylmethyl 2,3-dimethyl-4-(oxiran-2-yl)but-2-enoate
CID 57096469
2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
[(2S)-3,4-dimethyl-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
CID 11851359
(6S,6aR)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
CID 102588531
Methyl (2e)-2-methyl-4-[(s)-oxiran-2-yl]-4-(pent-3-yloxy)but-2-enoate
CID 129746016
Methyl 4,5-dimethyl-2-oxo-5-(propan-2-yloxymethyl)furan-3-carboxylate
CID 134907668
(6S,6aS)-3,6-dimethyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
CID 134963458
2-(2-Methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate
CID 56992120
2-Hydroxypropyl 5-hydroxy-2,3-dimethylhex-2-enoate
CID 57279907
2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium
CID 58666082

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one (CID 18721088) is 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one is COCC(OC)C1OC(=O)C(C)=C1C.
What is the InChIKey of 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one?
The InChIKey is CVLMMXRJCYHALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-7(2)10(11)14-9(6)8(13-4)5-12-3/h8-9H,5H2,1-4H3.
What are the key properties of 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one?
2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one has a molecular weight of 200.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethoxyethyl)-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 18721088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).