methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate

C10H16O5 — CID 44632342

IUPACmethyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate
SMILESCOC(=O)CCC1CCC(C(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-13-9(11)6-4-7-3-5-8(15-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChIKeyBGCADUYRBDPIGI-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds4

About methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate

methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate (PubChem CID 44632342) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate
PubChem CID44632342
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate
SMILESCOC(=O)CCC1CCC(C(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-13-9(11)6-4-7-3-5-8(15-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChIKeyBGCADUYRBDPIGI-UHFFFAOYSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate?
The IUPAC name of methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate (CID 44632342) is methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate?
The canonical SMILES for methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate is COC(=O)CCC1CCC(C(=O)OC)O1.
What is the InChIKey of methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate?
The InChIKey is BGCADUYRBDPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-9(11)6-4-7-3-5-8(15-7)10(12)14-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate?
methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylate is sourced from PubChem (CID 44632342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).