4,5-dimethyl-6-methylidene-1,3-dioxan-2-one

C7H10O3 — CID 89425008

IUPAC4,5-dimethyl-6-methylidene-1,3-dioxan-2-one
SMILESC=C1OC(=O)OC(C)C1C
InChIInChI=1S/C7H10O3/c1-4-5(2)9-7(8)10-6(4)3/h4,6H,2H2,1,3H3
InChIKeyQSXYCNNJRRBVLQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.69
Rot. Bonds

About 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one

4,5-dimethyl-6-methylidene-1,3-dioxan-2-one (PubChem CID 89425008) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one.

Molecular Properties

Compound Name4,5-dimethyl-6-methylidene-1,3-dioxan-2-one
PubChem CID89425008
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4,5-dimethyl-6-methylidene-1,3-dioxan-2-one
SMILESC=C1OC(=O)OC(C)C1C
InChIInChI=1S/C7H10O3/c1-4-5(2)9-7(8)10-6(4)3/h4,6H,2H2,1,3H3
InChIKeyQSXYCNNJRRBVLQ-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one?
The IUPAC name of 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one (CID 89425008) is 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one.
What is the SMILES notation for 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one?
The canonical SMILES for 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one is C=C1OC(=O)OC(C)C1C.
What is the InChIKey of 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one?
The InChIKey is QSXYCNNJRRBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(2)9-7(8)10-6(4)3/h4,6H,2H2,1,3H3.
What are the key properties of 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one?
4,5-dimethyl-6-methylidene-1,3-dioxan-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-methylidene-1,3-dioxan-2-one is sourced from PubChem (CID 89425008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).