(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate

C9H10O5 — CID 175248298

IUPAC(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
SMILESCC1(OC(=O)c2ccoc2)OCCO1
InChIInChI=1S/C9H10O5/c1-9(12-4-5-13-9)14-8(10)7-2-3-11-6-7/h2-3,6H,4-5H2,1H3
InChIKeyCGQHVOOMDMHODW-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.16
Rot. Bonds2

About (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate

(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate (PubChem CID 175248298) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
PubChem CID175248298
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
SMILESCC1(OC(=O)c2ccoc2)OCCO1
InChIInChI=1S/C9H10O5/c1-9(12-4-5-13-9)14-8(10)7-2-3-11-6-7/h2-3,6H,4-5H2,1H3
InChIKeyCGQHVOOMDMHODW-UHFFFAOYSA-N
XLogP1.16
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
The IUPAC name of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate (CID 175248298) is (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate.
What is the SMILES notation for (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
The canonical SMILES for (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate is CC1(OC(=O)c2ccoc2)OCCO1.
What is the InChIKey of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
The InChIKey is CGQHVOOMDMHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-9(12-4-5-13-9)14-8(10)7-2-3-11-6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate?
(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate has a molecular weight of 198.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate is sourced from PubChem (CID 175248298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).