propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate

C12H20O6 — CID 163004340

IUPACpropan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
SMILESCOC1OC(C(=O)OC(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C12H20O6/c1-6(2)15-10(13)8-7-9(11(14-5)16-8)18-12(3,4)17-7/h6-9,11H,1-5H3
InChIKeyPBWLNPLKIBIPBU-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.83
Rot. Bonds3

About propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate

propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate (PubChem CID 163004340) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
PubChem CID163004340
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namepropan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
SMILESCOC1OC(C(=O)OC(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C12H20O6/c1-6(2)15-10(13)8-7-9(11(14-5)16-8)18-12(3,4)17-7/h6-9,11H,1-5H3
InChIKeyPBWLNPLKIBIPBU-UHFFFAOYSA-N
XLogP0.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate?
The IUPAC name of propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate (CID 163004340) is propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate.
What is the SMILES notation for propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate?
The canonical SMILES for propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate is COC1OC(C(=O)OC(C)C)C2OC(C)(C)OC12.
What is the InChIKey of propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate?
The InChIKey is PBWLNPLKIBIPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-6(2)15-10(13)8-7-9(11(14-5)16-8)18-12(3,4)17-7/h6-9,11H,1-5H3.
What are the key properties of propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate?
propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate is sourced from PubChem (CID 163004340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).