[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane

C14H34O7 — CID 161479127

IUPAC[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane
SMILESC.C.C.C.C.C.C=CC(=O)OCOC(=O)COC(=O)CO
InChIInChI=1S/C8H10O7.6CH4/c1-2-6(10)14-5-15-8(12)4-13-7(11)3-9;;;;;;/h2,9H,1,3-5H2;6*1H4
InChIKeyWECSONGGHOKKAW-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.57
Rot. Bonds6

About [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane

[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane (PubChem CID 161479127) has the molecular formula C14H34O7 and a molecular weight of 314.42 g/mol. Its IUPAC name is [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane.

Molecular Properties

Compound Name[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane
PubChem CID161479127
Molecular FormulaC14H34O7
Molecular Weight314.42 g/mol
Exact Mass314.23
IUPAC Name[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane
SMILESC.C.C.C.C.C.C=CC(=O)OCOC(=O)COC(=O)CO
InChIInChI=1S/C8H10O7.6CH4/c1-2-6(10)14-5-15-8(12)4-13-7(11)3-9;;;;;;/h2,9H,1,3-5H2;6*1H4
InChIKeyWECSONGGHOKKAW-UHFFFAOYSA-N
XLogP2.57
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane?
The IUPAC name of [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane (CID 161479127) is [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane.
What is the SMILES notation for [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane?
The canonical SMILES for [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane is C.C.C.C.C.C.C=CC(=O)OCOC(=O)COC(=O)CO.
What is the InChIKey of [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane?
The InChIKey is WECSONGGHOKKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O7.6CH4/c1-2-6(10)14-5-15-8(12)4-13-7(11)3-9;;;;;;/h2,9H,1,3-5H2;6*1H4.
What are the key properties of [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane?
[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane has a molecular weight of 314.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane is sourced from PubChem (CID 161479127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).