methane;methyl 3-hydroxypropanoate

C6H16O3 — CID 165023436

IUPACmethane;methyl 3-hydroxypropanoate
SMILESC.C.COC(=O)CCO
InChIInChI=1S/C4H8O3.2CH4/c1-7-4(6)2-3-5;;/h5H,2-3H2,1H3;2*1H4
InChIKeyLNDCTQXPKIVOJX-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.81
Rot. Bonds2

About methane;methyl 3-hydroxypropanoate

methane;methyl 3-hydroxypropanoate (PubChem CID 165023436) has the molecular formula C6H16O3 and a molecular weight of 136.19 g/mol. Its IUPAC name is methane;methyl 3-hydroxypropanoate.

Molecular Properties

Compound Namemethane;methyl 3-hydroxypropanoate
PubChem CID165023436
Molecular FormulaC6H16O3
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Namemethane;methyl 3-hydroxypropanoate
SMILESC.C.COC(=O)CCO
InChIInChI=1S/C4H8O3.2CH4/c1-7-4(6)2-3-5;;/h5H,2-3H2,1H3;2*1H4
InChIKeyLNDCTQXPKIVOJX-UHFFFAOYSA-N
XLogP0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;methyl 4-oxopentanoate
CID 157451764
hexakis(butanedioic acid);ethane-1,2-diol;4-methoxy-4-oxobutanoic acid
CID 173361871
methyl 14-hydroxytetradecanoate
CID 13245690
ethyl 2-ethoxyacetate;methyl 3-hydroxypropanoate
CID 174878404
methyl 4-oxopentanoate;propan-2-one
CID 102601184
2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride
CID 158378476
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076

Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-hydroxypropanoate?
The IUPAC name of methane;methyl 3-hydroxypropanoate (CID 165023436) is methane;methyl 3-hydroxypropanoate.
What is the SMILES notation for methane;methyl 3-hydroxypropanoate?
The canonical SMILES for methane;methyl 3-hydroxypropanoate is C.C.COC(=O)CCO.
What is the InChIKey of methane;methyl 3-hydroxypropanoate?
The InChIKey is LNDCTQXPKIVOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.2CH4/c1-7-4(6)2-3-5;;/h5H,2-3H2,1H3;2*1H4.
What are the key properties of methane;methyl 3-hydroxypropanoate?
methane;methyl 3-hydroxypropanoate has a molecular weight of 136.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 3-hydroxypropanoate is sourced from PubChem (CID 165023436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).