1-methoxypropan-2-yl acetate

C6H12O3 — CID 7946

IUPAC1-methoxypropan-2-yl acetate
SMILESCOCC(C)OC(C)=O
InChIInChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
InChIKeyLLHKCFNBLRBOGN-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.58
Rot. Bonds3

About 1-methoxypropan-2-yl acetate

1-methoxypropan-2-yl acetate (PubChem CID 7946) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-methoxypropan-2-yl acetate.

Molecular Properties

Compound Name1-methoxypropan-2-yl acetate
PubChem CID7946
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name1-methoxypropan-2-yl acetate
SMILESCOCC(C)OC(C)=O
InChIInChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
InChIKeyLLHKCFNBLRBOGN-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxypropan-2-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triacetin
CID 5541
Glycol monoethyl ether acetate
CID 8095
Isopropyl Acetate
CID 7915
Propylene Glycol Diacetate
CID 12198
Sec-Butyl acetate
CID 7758
2-Pentyl acetate
CID 12278
Ethylene glycol monomethyl ether acetate
CID 8054
Ethylene glycol diacetate
CID 8121
Dipropylene glycol methyl ether acetate
CID 9815489
Isopropyl propionate
CID 12508
2-Propanol, 1-ethoxy-, 2-acetate
CID 171378
3-Methoxybutyl acetate
CID 20498

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl acetate?
The IUPAC name of 1-methoxypropan-2-yl acetate (CID 7946) is 1-methoxypropan-2-yl acetate.
What is the SMILES notation for 1-methoxypropan-2-yl acetate?
The canonical SMILES for 1-methoxypropan-2-yl acetate is COCC(C)OC(C)=O.
What is the InChIKey of 1-methoxypropan-2-yl acetate?
The InChIKey is LLHKCFNBLRBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl acetate?
1-methoxypropan-2-yl acetate has a molecular weight of 132.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl acetate is sourced from PubChem (CID 7946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).