2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate

C15H24O6 — CID 141437084

IUPAC2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate
SMILESCC(=CC(=O)OCCOCCO)C(CC1CO1)CC1CO1
InChIInChI=1S/C15H24O6/c1-11(6-15(17)19-5-4-18-3-2-16)12(7-13-9-20-13)8-14-10-21-14/h6,12-14,16H,2-5,7-10H2,1H3
InChIKeyCGPCNKNKPFYZOS-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.68
Rot. Bonds11

About 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate

2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate (PubChem CID 141437084) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate
PubChem CID141437084
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate
SMILESCC(=CC(=O)OCCOCCO)C(CC1CO1)CC1CO1
InChIInChI=1S/C15H24O6/c1-11(6-15(17)19-5-4-18-3-2-16)12(7-13-9-20-13)8-14-10-21-14/h6,12-14,16H,2-5,7-10H2,1H3
InChIKeyCGPCNKNKPFYZOS-UHFFFAOYSA-N
XLogP0.68
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate (CID 141437084) is 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate is CC(=CC(=O)OCCOCCO)C(CC1CO1)CC1CO1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate?
The InChIKey is CGPCNKNKPFYZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-11(6-15(17)19-5-4-18-3-2-16)12(7-13-9-20-13)8-14-10-21-14/h6,12-14,16H,2-5,7-10H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate?
2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 0.68, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 3-methyl-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pent-2-enoate is sourced from PubChem (CID 141437084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).