2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol

C8H16O3 — CID 11116339

IUPAC2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol
SMILESC=CCOCC(C)(CO)CO
InChIInChI=1S/C8H16O3/c1-3-4-11-7-8(2,5-9)6-10/h3,9-10H,1,4-7H2,2H3
InChIKeyMNJHGIUFROWPPU-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.18
Rot. Bonds6

About 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol

2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol (PubChem CID 11116339) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol
PubChem CID11116339
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol
SMILESC=CCOCC(C)(CO)CO
InChIInChI=1S/C8H16O3/c1-3-4-11-7-8(2,5-9)6-10/h3,9-10H,1,4-7H2,2H3
InChIKeyMNJHGIUFROWPPU-UHFFFAOYSA-N
XLogP0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol (CID 11116339) is 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol is C=CCOCC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol?
The InChIKey is MNJHGIUFROWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-11-7-8(2,5-9)6-10/h3,9-10H,1,4-7H2,2H3.
What are the key properties of 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol?
2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol has a molecular weight of 160.21 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoxymethyl)propane-1,3-diol is sourced from PubChem (CID 11116339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).