(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate

C10H14O5 — CID 19000661

IUPAC(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate
SMILESCOC1(C)OC2CC=C(OC(C)=O)C2O1
InChIInChI=1S/C10H14O5/c1-6(11)13-7-4-5-8-9(7)15-10(2,12-3)14-8/h4,8-9H,5H2,1-3H3
InChIKeyUAXPDLVTVREXPT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.94
Rot. Bonds2

About (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate

(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate (PubChem CID 19000661) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate.

Molecular Properties

Compound Name(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate
PubChem CID19000661
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate
SMILESCOC1(C)OC2CC=C(OC(C)=O)C2O1
InChIInChI=1S/C10H14O5/c1-6(11)13-7-4-5-8-9(7)15-10(2,12-3)14-8/h4,8-9H,5H2,1-3H3
InChIKeyUAXPDLVTVREXPT-UHFFFAOYSA-N
XLogP0.94
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate?
The IUPAC name of (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate (CID 19000661) is (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate.
What is the SMILES notation for (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate?
The canonical SMILES for (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate is COC1(C)OC2CC=C(OC(C)=O)C2O1.
What is the InChIKey of (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate?
The InChIKey is UAXPDLVTVREXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(11)13-7-4-5-8-9(7)15-10(2,12-3)14-8/h4,8-9H,5H2,1-3H3.
What are the key properties of (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate?
(2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate has a molecular weight of 214.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) acetate is sourced from PubChem (CID 19000661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).