2-methoxy-1-(oxolan-3-yl)propan-1-one

C8H14O3 — CID 79616879

IUPAC2-methoxy-1-(oxolan-3-yl)propan-1-one
SMILESCOC(C)C(=O)C1CCOC1
InChIInChI=1S/C8H14O3/c1-6(10-2)8(9)7-3-4-11-5-7/h6-7H,3-5H2,1-2H3
InChIKeyARIKBLNUFZBKPV-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.63
Rot. Bonds3

About 2-methoxy-1-(oxolan-3-yl)propan-1-one

2-methoxy-1-(oxolan-3-yl)propan-1-one (PubChem CID 79616879) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methoxy-1-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(oxolan-3-yl)propan-1-one
PubChem CID79616879
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-methoxy-1-(oxolan-3-yl)propan-1-one
SMILESCOC(C)C(=O)C1CCOC1
InChIInChI=1S/C8H14O3/c1-6(10-2)8(9)7-3-4-11-5-7/h6-7H,3-5H2,1-2H3
InChIKeyARIKBLNUFZBKPV-UHFFFAOYSA-N
XLogP0.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(oxolan-3-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(oxolan-3-yl)propan-1-one (CID 79616879) is 2-methoxy-1-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(oxolan-3-yl)propan-1-one is COC(C)C(=O)C1CCOC1.
What is the InChIKey of 2-methoxy-1-(oxolan-3-yl)propan-1-one?
The InChIKey is ARIKBLNUFZBKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(10-2)8(9)7-3-4-11-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-1-(oxolan-3-yl)propan-1-one?
2-methoxy-1-(oxolan-3-yl)propan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 79616879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).