methane;3-prop-2-enoxypropane-1,2-diol

C7H16O3 — CID 174709121

IUPACmethane;3-prop-2-enoxypropane-1,2-diol
SMILESC.C=CCOCC(O)CO
InChIInChI=1S/C6H12O3.CH4/c1-2-3-9-5-6(8)4-7;/h2,6-8H,1,3-5H2;1H4
InChIKeyWMTRCMUHLCXUDR-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.18
Rot. Bonds5

About methane;3-prop-2-enoxypropane-1,2-diol

methane;3-prop-2-enoxypropane-1,2-diol (PubChem CID 174709121) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is methane;3-prop-2-enoxypropane-1,2-diol.

Molecular Properties

Compound Namemethane;3-prop-2-enoxypropane-1,2-diol
PubChem CID174709121
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Namemethane;3-prop-2-enoxypropane-1,2-diol
SMILESC.C=CCOCC(O)CO
InChIInChI=1S/C6H12O3.CH4/c1-2-3-9-5-6(8)4-7;/h2,6-8H,1,3-5H2;1H4
InChIKeyWMTRCMUHLCXUDR-UHFFFAOYSA-N
XLogP0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
CID 172513857
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
CID 6455521
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
CID 154701098
CID 154701098
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
3-prop-2-enoxyprop-1-ene;3-sulfanylpropane-1,2-diol
CID 174776061
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126

Frequently Asked Questions

What is the IUPAC name of methane;3-prop-2-enoxypropane-1,2-diol?
The IUPAC name of methane;3-prop-2-enoxypropane-1,2-diol (CID 174709121) is methane;3-prop-2-enoxypropane-1,2-diol.
What is the SMILES notation for methane;3-prop-2-enoxypropane-1,2-diol?
The canonical SMILES for methane;3-prop-2-enoxypropane-1,2-diol is C.C=CCOCC(O)CO.
What is the InChIKey of methane;3-prop-2-enoxypropane-1,2-diol?
The InChIKey is WMTRCMUHLCXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.CH4/c1-2-3-9-5-6(8)4-7;/h2,6-8H,1,3-5H2;1H4.
What are the key properties of methane;3-prop-2-enoxypropane-1,2-diol?
methane;3-prop-2-enoxypropane-1,2-diol has a molecular weight of 148.20 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 174709121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).