(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate

C8H10O4 — CID 59696766

IUPAC(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate
SMILESC=C1OC(C)=C(COC(C)=O)O1
InChIInChI=1S/C8H10O4/c1-5-8(4-10-6(2)9)12-7(3)11-5/h3-4H2,1-2H3
InChIKeyXMZKIHFOMSMBPX-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.30
Rot. Bonds2

About (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate

(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate (PubChem CID 59696766) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate.

Molecular Properties

Compound Name(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate
PubChem CID59696766
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate
SMILESC=C1OC(C)=C(COC(C)=O)O1
InChIInChI=1S/C8H10O4/c1-5-8(4-10-6(2)9)12-7(3)11-5/h3-4H2,1-2H3
InChIKeyXMZKIHFOMSMBPX-UHFFFAOYSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate?
The IUPAC name of (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate (CID 59696766) is (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate.
What is the SMILES notation for (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate?
The canonical SMILES for (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate is C=C1OC(C)=C(COC(C)=O)O1.
What is the InChIKey of (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate?
The InChIKey is XMZKIHFOMSMBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-8(4-10-6(2)9)12-7(3)11-5/h3-4H2,1-2H3.
What are the key properties of (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate?
(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate has a molecular weight of 170.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl acetate is sourced from PubChem (CID 59696766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).