oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate

C12H18O4 — CID 66662121

IUPACoxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCC1CCCO1
InChIInChI=1S/C12H18O4/c1-3-6-14-8-10(2)12(13)16-9-11-5-4-7-15-11/h3,11H,1-2,4-9H2
InChIKeyICWQHENXGLLYGY-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.47
Rot. Bonds7

About oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate

oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 66662121) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID66662121
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Nameoxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCC1CCCO1
InChIInChI=1S/C12H18O4/c1-3-6-14-8-10(2)12(13)16-9-11-5-4-7-15-11/h3,11H,1-2,4-9H2
InChIKeyICWQHENXGLLYGY-UHFFFAOYSA-N
XLogP1.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229836
oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
CID 79277559
oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
CID 69398677
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 66662121) is oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is ICWQHENXGLLYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-6-14-8-10(2)12(13)16-9-11-5-4-7-15-11/h3,11H,1-2,4-9H2.
What are the key properties of oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 66662121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).