2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate

C19H34O6 — CID 166750566

IUPAC2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate
SMILESC=CC(=O)OC(C)COC(C)COC(C)COC(=O)CCC(C)CC
InChIInChI=1S/C19H34O6/c1-7-14(3)9-10-19(21)24-12-16(5)22-11-15(4)23-13-17(6)25-18(20)8-2/h8,14-17H,2,7,9-13H2,1,3-6H3
InChIKeyFVJUMTUESLWBFX-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.28
Rot. Bonds14

About 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate

2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate (PubChem CID 166750566) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate
PubChem CID166750566
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate
SMILESC=CC(=O)OC(C)COC(C)COC(C)COC(=O)CCC(C)CC
InChIInChI=1S/C19H34O6/c1-7-14(3)9-10-19(21)24-12-16(5)22-11-15(4)23-13-17(6)25-18(20)8-2/h8,14-17H,2,7,9-13H2,1,3-6H3
InChIKeyFVJUMTUESLWBFX-UHFFFAOYSA-N
XLogP3.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate?
The IUPAC name of 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate (CID 166750566) is 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate.
What is the SMILES notation for 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate?
The canonical SMILES for 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate is C=CC(=O)OC(C)COC(C)COC(C)COC(=O)CCC(C)CC.
What is the InChIKey of 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate?
The InChIKey is FVJUMTUESLWBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O6/c1-7-14(3)9-10-19(21)24-12-16(5)22-11-15(4)23-13-17(6)25-18(20)8-2/h8,14-17H,2,7,9-13H2,1,3-6H3.
What are the key properties of 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate?
2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate has a molecular weight of 358.48 g/mol, XLogP of 3.28, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl 4-methylhexanoate is sourced from PubChem (CID 166750566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).