(4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one

C7H12O4 — CID 10534971

IUPAC(4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one
SMILESCOC[C@H]1OC(=O)C[C@H]1OC
InChIInChI=1S/C7H12O4/c1-9-4-6-5(10-2)3-7(8)11-6/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyGSCVZZMSBLVOTD-PHDIDXHHSA-N
MW160.17 g/mol
LogP-0.04
Rot. Bonds3

About (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one

(4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one (PubChem CID 10534971) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one
PubChem CID10534971
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one
SMILESCOC[C@H]1OC(=O)C[C@H]1OC
InChIInChI=1S/C7H12O4/c1-9-4-6-5(10-2)3-7(8)11-6/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyGSCVZZMSBLVOTD-PHDIDXHHSA-N
XLogP-0.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one (CID 10534971) is (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one is COC[C@H]1OC(=O)C[C@H]1OC.
What is the InChIKey of (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The InChIKey is GSCVZZMSBLVOTD-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-4-6-5(10-2)3-7(8)11-6/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one?
(4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-one is sourced from PubChem (CID 10534971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).