4-methoxybutan-2-yl propanoate

C8H16O3 — CID 145115324

IUPAC4-methoxybutan-2-yl propanoate
SMILESCCC(=O)OC(C)CCOC
InChIInChI=1S/C8H16O3/c1-4-8(9)11-7(2)5-6-10-3/h7H,4-6H2,1-3H3
InChIKeyFJPVVMVICJDDMH-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.36
Rot. Bonds5

About 4-methoxybutan-2-yl propanoate

4-methoxybutan-2-yl propanoate (PubChem CID 145115324) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-methoxybutan-2-yl propanoate.

Molecular Properties

Compound Name4-methoxybutan-2-yl propanoate
PubChem CID145115324
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-methoxybutan-2-yl propanoate
SMILESCCC(=O)OC(C)CCOC
InChIInChI=1S/C8H16O3/c1-4-8(9)11-7(2)5-6-10-3/h7H,4-6H2,1-3H3
InChIKeyFJPVVMVICJDDMH-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxybutan-2-yl propanoate 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

[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
hexan-2-yl propanoate
CID 54289868
[(2S)-dodecan-2-yl] propanoate
CID 162853259
hexadecan-2-yl propanoate
CID 154494346
10-hydroxydecan-2-yl propanoate
CID 123501061
[(3S)-3-methoxybutyl] propanoate
CID 102330926
6-methylhept-5-en-2-yl propanoate
CID 3020294
3-carbonochloridoyloxybutyl propanoate
CID 154944662
butan-2-yl propanoate;sulfur dioxide
CID 159892772
3-propanoyloxybutan-2-yl propanoate
CID 14494224
butan-2-yl 4-methoxybutanoate
CID 134215761
(4-acetyloxy-1-methoxypentan-2-yl) propanoate
CID 173082808

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutan-2-yl propanoate?
The IUPAC name of 4-methoxybutan-2-yl propanoate (CID 145115324) is 4-methoxybutan-2-yl propanoate.
What is the SMILES notation for 4-methoxybutan-2-yl propanoate?
The canonical SMILES for 4-methoxybutan-2-yl propanoate is CCC(=O)OC(C)CCOC.
What is the InChIKey of 4-methoxybutan-2-yl propanoate?
The InChIKey is FJPVVMVICJDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(9)11-7(2)5-6-10-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-methoxybutan-2-yl propanoate?
4-methoxybutan-2-yl propanoate has a molecular weight of 160.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutan-2-yl propanoate is sourced from PubChem (CID 145115324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).