(2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one

C9H14O4 — CID 70237380

IUPAC(2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one
SMILESCOC(OC)[C@@H]1OC(=O)C(C)=C1C
InChIInChI=1S/C9H14O4/c1-5-6(2)8(10)13-7(5)9(11-3)12-4/h7,9H,1-4H3/t7-/m1/s1
InChIKeyILTPVARJVIFMJS-SSDOTTSWSA-N
MW186.21 g/mol
LogP0.87
Rot. Bonds3

About (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one

(2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one (PubChem CID 70237380) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one
PubChem CID70237380
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one
SMILESCOC(OC)[C@@H]1OC(=O)C(C)=C1C
InChIInChI=1S/C9H14O4/c1-5-6(2)8(10)13-7(5)9(11-3)12-4/h7,9H,1-4H3/t7-/m1/s1
InChIKeyILTPVARJVIFMJS-SSDOTTSWSA-N
XLogP0.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one (CID 70237380) is (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one is COC(OC)[C@@H]1OC(=O)C(C)=C1C.
What is the InChIKey of (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one?
The InChIKey is ILTPVARJVIFMJS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O4/c1-5-6(2)8(10)13-7(5)9(11-3)12-4/h7,9H,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one?
(2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one has a molecular weight of 186.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethoxymethyl)-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 70237380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).