ethane;methane;phenoxymethyl 2-methylprop-2-enoate

C15H26O3 — CID 161278326

IUPACethane;methane;phenoxymethyl 2-methylprop-2-enoate
SMILESC.C.C=C(C)C(=O)OCOc1ccccc1.CC
InChIInChI=1S/C11H12O3.C2H6.2CH4/c1-9(2)11(12)14-8-13-10-6-4-3-5-7-10;1-2;;/h3-7H,1,8H2,2H3;1-2H3;2*1H4
InChIKeyVESWIHLLGGTHRT-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.44
Rot. Bonds4

About ethane;methane;phenoxymethyl 2-methylprop-2-enoate

ethane;methane;phenoxymethyl 2-methylprop-2-enoate (PubChem CID 161278326) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;methane;phenoxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane;methane;phenoxymethyl 2-methylprop-2-enoate
PubChem CID161278326
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethane;methane;phenoxymethyl 2-methylprop-2-enoate
SMILESC.C.C=C(C)C(=O)OCOc1ccccc1.CC
InChIInChI=1S/C11H12O3.C2H6.2CH4/c1-9(2)11(12)14-8-13-10-6-4-3-5-7-10;1-2;;/h3-7H,1,8H2,2H3;1-2H3;2*1H4
InChIKeyVESWIHLLGGTHRT-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
[4-[4-[[(E)-3-phenylprop-2-enoyl]oxymethoxy]phenyl]phenoxy]methyl 2-methylprop-2-enoate
CID 20728904
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
5-(2-methylprop-2-enoyloxymethoxy)benzene-1,3-dicarboxylic acid
CID 18335902
ethanol;ethoxybenzene;ethyl 2-methylprop-2-enoate;methane;propane;toluene
CID 157069050
bis(acetyloxymethyl 2-methylprop-2-enoate);toluene
CID 158484803
2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(2-phenoxyethyl) 2-acetyl-3-methylidenebutanedioate
CID 69167558
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656

Frequently Asked Questions

What is the IUPAC name of ethane;methane;phenoxymethyl 2-methylprop-2-enoate?
The IUPAC name of ethane;methane;phenoxymethyl 2-methylprop-2-enoate (CID 161278326) is ethane;methane;phenoxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethane;methane;phenoxymethyl 2-methylprop-2-enoate?
The canonical SMILES for ethane;methane;phenoxymethyl 2-methylprop-2-enoate is C.C.C=C(C)C(=O)OCOc1ccccc1.CC.
What is the InChIKey of ethane;methane;phenoxymethyl 2-methylprop-2-enoate?
The InChIKey is VESWIHLLGGTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C2H6.2CH4/c1-9(2)11(12)14-8-13-10-6-4-3-5-7-10;1-2;;/h3-7H,1,8H2,2H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;phenoxymethyl 2-methylprop-2-enoate?
ethane;methane;phenoxymethyl 2-methylprop-2-enoate has a molecular weight of 254.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;phenoxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 161278326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).