[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate

C10H18O4 — CID 58701380

IUPAC[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC)COC
InChIInChI=1S/C10H18O4/c1-8(2)10(11)14-7-9(5-12-3)6-13-4/h9H,1,5-7H2,2-4H3
InChIKeyBPYOGGQZIKDWNC-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.01
Rot. Bonds7

About [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate

[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate (PubChem CID 58701380) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
PubChem CID58701380
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC)COC
InChIInChI=1S/C10H18O4/c1-8(2)10(11)14-7-9(5-12-3)6-13-4/h9H,1,5-7H2,2-4H3
InChIKeyBPYOGGQZIKDWNC-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.01
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-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-(acetyloxymethyl)pentyl 2-methylprop-2-enoate
CID 131979241
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2,3,3-trimethoxypropyl 2-methylprop-2-enoate
CID 123499997
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate (CID 58701380) is [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC)COC.
What is the InChIKey of [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate?
The InChIKey is BPYOGGQZIKDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(2)10(11)14-7-9(5-12-3)6-13-4/h9H,1,5-7H2,2-4H3.
What are the key properties of [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate?
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58701380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).