(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate

C10H14O6 — CID 58874427

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate
SMILESCc1oc(=O)oc1COC(=O)COC(C)C
InChIInChI=1S/C10H14O6/c1-6(2)13-5-9(11)14-4-8-7(3)15-10(12)16-8/h6H,4-5H2,1-3H3
InChIKeyNDNTVTVTLHVGGZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.01
Rot. Bonds5

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate (PubChem CID 58874427) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate
PubChem CID58874427
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate
SMILESCc1oc(=O)oc1COC(=O)COC(C)C
InChIInChI=1S/C10H14O6/c1-6(2)13-5-9(11)14-4-8-7(3)15-10(12)16-8/h6H,4-5H2,1-3H3
InChIKeyNDNTVTVTLHVGGZ-UHFFFAOYSA-N
XLogP1.01
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate (CID 58874427) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate is Cc1oc(=O)oc1COC(=O)COC(C)C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate?
The InChIKey is NDNTVTVTLHVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-6(2)13-5-9(11)14-4-8-7(3)15-10(12)16-8/h6H,4-5H2,1-3H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate has a molecular weight of 230.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propan-2-yloxyacetate is sourced from PubChem (CID 58874427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).