ethene;oxolan-2-ylmethyl prop-2-enoate

C16H28O3 — CID 70419708

IUPACethene;oxolan-2-ylmethyl prop-2-enoate
SMILESC=C.C=C.C=C.C=C.C=CC(=O)OCC1CCCO1
InChIInChI=1S/C8H12O3.4C2H4/c1-2-8(9)11-6-7-4-3-5-10-7;4*1-2/h2,7H,1,3-6H2;4*1-2H2
InChIKeyQPZWYMUPHLSHOQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.10
Rot. Bonds3

About ethene;oxolan-2-ylmethyl prop-2-enoate

ethene;oxolan-2-ylmethyl prop-2-enoate (PubChem CID 70419708) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethene;oxolan-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Nameethene;oxolan-2-ylmethyl prop-2-enoate
PubChem CID70419708
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameethene;oxolan-2-ylmethyl prop-2-enoate
SMILESC=C.C=C.C=C.C=C.C=CC(=O)OCC1CCCO1
InChIInChI=1S/C8H12O3.4C2H4/c1-2-8(9)11-6-7-4-3-5-10-7;4*1-2/h2,7H,1,3-6H2;4*1-2H2
InChIKeyQPZWYMUPHLSHOQ-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
(6-ethyl-2,2,4,4-tetramethyloctyl) prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 144612012
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
oxolan-2-ylmethyl prop-2-enoate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 68541728
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547

Frequently Asked Questions

What is the IUPAC name of ethene;oxolan-2-ylmethyl prop-2-enoate?
The IUPAC name of ethene;oxolan-2-ylmethyl prop-2-enoate (CID 70419708) is ethene;oxolan-2-ylmethyl prop-2-enoate.
What is the SMILES notation for ethene;oxolan-2-ylmethyl prop-2-enoate?
The canonical SMILES for ethene;oxolan-2-ylmethyl prop-2-enoate is C=C.C=C.C=C.C=C.C=CC(=O)OCC1CCCO1.
What is the InChIKey of ethene;oxolan-2-ylmethyl prop-2-enoate?
The InChIKey is QPZWYMUPHLSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.4C2H4/c1-2-8(9)11-6-7-4-3-5-10-7;4*1-2/h2,7H,1,3-6H2;4*1-2H2.
What are the key properties of ethene;oxolan-2-ylmethyl prop-2-enoate?
ethene;oxolan-2-ylmethyl prop-2-enoate has a molecular weight of 268.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;oxolan-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 70419708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).