methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate

C19H42O7 — CID 158649110

IUPACmethane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC.C.C.C.C=C(C)C(=O)OC(C)C(=O)OCC(COC)(COC)COC
InChIInChI=1S/C15H26O7.4CH4/c1-11(2)13(16)22-12(3)14(17)21-10-15(7-18-4,8-19-5)9-20-6;;;;/h12H,1,7-10H2,2-6H3;4*1H4
InChIKeyIBIFGVKFNRHXRK-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.51
Rot. Bonds11

About methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate

methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate (PubChem CID 158649110) has the molecular formula C19H42O7 and a molecular weight of 382.54 g/mol. Its IUPAC name is methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
PubChem CID158649110
Molecular FormulaC19H42O7
Molecular Weight382.54 g/mol
Exact Mass382.29
IUPAC Namemethane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC.C.C.C.C=C(C)C(=O)OC(C)C(=O)OCC(COC)(COC)COC
InChIInChI=1S/C15H26O7.4CH4/c1-11(2)13(16)22-12(3)14(17)21-10-15(7-18-4,8-19-5)9-20-6;;;;/h12H,1,7-10H2,2-6H3;4*1H4
InChIKeyIBIFGVKFNRHXRK-UHFFFAOYSA-N
XLogP3.51
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 158777032
CID 158777032
(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 58027740
[2-(hydroxymethyl)-2-(methoxymethyl)butyl] 2-methylprop-2-enoate
CID 87795028
[3-[2-(2-hydroxyacetyl)oxypropanoyloxy]-2,2-bis[2-(2-hydroxyacetyl)oxypropanoyloxymethyl]propyl] 2-(2-hydroxyacetyl)oxypropanoate
CID 118909267
propan-2-yl 2-methylprop-2-enoate
CID 146421311
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 158277052
[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate
CID 168989113
2-fluoroethanol;[1-(2-fluoroethoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate;fluoromethane;2-(2-methylprop-2-enoyloxy)propanoic acid;tetrafluoromethane
CID 162099345
[1-(2-ethylhexoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 139671212
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-[2-(2-hydroxypropanoyloxy)propanoyloxy]ethyl 2-methylprop-2-enoate
CID 59305982

Frequently Asked Questions

What is the IUPAC name of methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate (CID 158649110) is methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate is C.C.C.C.C=C(C)C(=O)OC(C)C(=O)OCC(COC)(COC)COC.
What is the InChIKey of methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is IBIFGVKFNRHXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7.4CH4/c1-11(2)13(16)22-12(3)14(17)21-10-15(7-18-4,8-19-5)9-20-6;;;;/h12H,1,7-10H2,2-6H3;4*1H4.
What are the key properties of methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 382.54 g/mol, XLogP of 3.51, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 158649110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).