propyl 3-hydroxypropanoate

C6H12O3 — CID 12778693

IUPACpropyl 3-hydroxypropanoate
SMILESCCCOC(=O)CCO
InChIInChI=1S/C6H12O3/c1-2-5-9-6(8)3-4-7/h7H,2-5H2,1H3
InChIKeyKNCDNPMGXGIVOM-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds4

About propyl 3-hydroxypropanoate

propyl 3-hydroxypropanoate (PubChem CID 12778693) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is propyl 3-hydroxypropanoate.

Molecular Properties

Compound Namepropyl 3-hydroxypropanoate
PubChem CID12778693
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namepropyl 3-hydroxypropanoate
SMILESCCCOC(=O)CCO
InChIInChI=1S/C6H12O3/c1-2-5-9-6(8)3-4-7/h7H,2-5H2,1H3
InChIKeyKNCDNPMGXGIVOM-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
nonyl 3-hydroxypropanoate
CID 139821975
propyl butanoate;tridecane-1,13-diol
CID 175114899
methane;propyl butanoate
CID 157187060
ethane-1,2-diol;propyl octadecanoate
CID 87479973
dipropyl 4,7-dioxodecanedioate
CID 174356334
ethyl 3-hydroxypropanoate
CID 160663371
2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
CID 87568507
bismuthane;propyl pentanoate
CID 174550006
propyl docosanoate
CID 3015299
(ethyl 3-hydroxypropanoate);hexane
CID 173284299

Frequently Asked Questions

What is the IUPAC name of propyl 3-hydroxypropanoate?
The IUPAC name of propyl 3-hydroxypropanoate (CID 12778693) is propyl 3-hydroxypropanoate.
What is the SMILES notation for propyl 3-hydroxypropanoate?
The canonical SMILES for propyl 3-hydroxypropanoate is CCCOC(=O)CCO.
What is the InChIKey of propyl 3-hydroxypropanoate?
The InChIKey is KNCDNPMGXGIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-5-9-6(8)3-4-7/h7H,2-5H2,1H3.
What are the key properties of propyl 3-hydroxypropanoate?
propyl 3-hydroxypropanoate has a molecular weight of 132.16 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-hydroxypropanoate is sourced from PubChem (CID 12778693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).