2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate

C14H26O4 — CID 167170531

IUPAC2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H26O4/c1-8-12(15)16-9-11(18-14(5,6)7)10-17-13(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyHQFUANBBWCGXCZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.71
Rot. Bonds6

About 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate

2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate (PubChem CID 167170531) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate.

Molecular Properties

Compound Name2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
PubChem CID167170531
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H26O4/c1-8-12(15)16-9-11(18-14(5,6)7)10-17-13(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyHQFUANBBWCGXCZ-UHFFFAOYSA-N
XLogP2.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-3-(3-methylpentan-3-yloxy)propyl] prop-2-enoate
CID 155200525
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
CID 138059610
2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-tert-butyl-2,3,3-trimethylbutanoate
CID 123574852
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate?
The IUPAC name of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate (CID 167170531) is 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate.
What is the SMILES notation for 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate?
The canonical SMILES for 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate is C=CC(=O)OCC(COC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate?
The InChIKey is HQFUANBBWCGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-8-12(15)16-9-11(18-14(5,6)7)10-17-13(2,3)4/h8,11H,1,9-10H2,2-7H3.
What are the key properties of 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate?
2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate is sourced from PubChem (CID 167170531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).