ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate

C11H20O4 — CID 67764408

IUPACethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCO1.CCO
InChIInChI=1S/C9H14O3.C2H6O/c1-7(2)9(10)12-6-8-4-3-5-11-8;1-2-3/h8H,1,3-6H2,2H3;3H,2H2,1H3
InChIKeyZFVUGDRXTYHRAA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.28
Rot. Bonds3

About ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate

ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 67764408) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
PubChem CID67764408
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCO1.CCO
InChIInChI=1S/C9H14O3.C2H6O/c1-7(2)9(10)12-6-8-4-3-5-11-8;1-2-3/h8H,1,3-6H2,2H3;3H,2H2,1H3
InChIKeyZFVUGDRXTYHRAA-UHFFFAOYSA-N
XLogP1.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 70019824
oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 174809391
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 90002166
4-O-[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 1-O-(oxan-2-ylmethyl) butanedioate
CID 59248519
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
CID 129143087

Frequently Asked Questions

What is the IUPAC name of ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate (CID 67764408) is ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCCO1.CCO.
What is the InChIKey of ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is ZFVUGDRXTYHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3.C2H6O/c1-7(2)9(10)12-6-8-4-3-5-11-8;1-2-3/h8H,1,3-6H2,2H3;3H,2H2,1H3.
What are the key properties of ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate?
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 67764408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).