[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate

C15H24O6 — CID 54077344

IUPAC[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)(COC(=O)C(=C)C)C(C)OC
InChIInChI=1S/C15H24O6/c1-10(2)13(17)20-8-15(7-16,12(5)19-6)9-21-14(18)11(3)4/h12,16H,1,3,7-9H2,2,4-6H3
InChIKeyMKQFFSSJHWKTBD-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.24
Rot. Bonds9

About [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate

[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate (PubChem CID 54077344) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
PubChem CID54077344
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)(COC(=O)C(=C)C)C(C)OC
InChIInChI=1S/C15H24O6/c1-10(2)13(17)20-8-15(7-16,12(5)19-6)9-21-14(18)11(3)4/h12,16H,1,3,7-9H2,2,4-6H3
InChIKeyMKQFFSSJHWKTBD-UHFFFAOYSA-N
XLogP1.24
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119
[2,2-bis(hydroxymethyl)-3-methyl-5-oxopentyl] 2-methylprop-2-enoate
CID 87577994
2-(hydroxymethyl)-2-(1-methoxyethyl)propane-1,3-diol;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174476638
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283
2,2-bis(hydroxymethyl)butyl 2-methylprop-2-enoate;propane-1,2-diol
CID 87376930
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2-(hydroxymethyl)-2-(methoxymethyl)butyl] 2-methylprop-2-enoate
CID 87795028
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[4-(hydroxymethoxy)-3,3-bis[1-(hydroxymethoxy)ethyl]-2,2-bis(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 139763340
[3-ethoxy-3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 139946038
[3-bromo-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 154123375
hydroxymethyl 2-methylprop-2-enoate
CID 159274421

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate (CID 54077344) is [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CO)(COC(=O)C(=C)C)C(C)OC.
What is the InChIKey of [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
The InChIKey is MKQFFSSJHWKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-10(2)13(17)20-8-15(7-16,12(5)19-6)9-21-14(18)11(3)4/h12,16H,1,3,7-9H2,2,4-6H3.
What are the key properties of [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate?
[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54077344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).