2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate

C13H22O5 — CID 54530313

IUPAC2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCC1OCC(C)(C)CO1
InChIInChI=1S/C13H22O5/c1-4-11(14)16-8-7-15-6-5-12-17-9-13(2,3)10-18-12/h4,12H,1,5-10H2,2-3H3
InChIKeyYWBCPQZKMHMPIJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.52
Rot. Bonds7

About 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate

2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate (PubChem CID 54530313) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate
PubChem CID54530313
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCC1OCC(C)(C)CO1
InChIInChI=1S/C13H22O5/c1-4-11(14)16-8-7-15-6-5-12-17-9-13(2,3)10-18-12/h4,12H,1,5-10H2,2-3H3
InChIKeyYWBCPQZKMHMPIJ-UHFFFAOYSA-N
XLogP1.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
CID 176908538
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[2-[2-[dimethoxy(methyl)silyl]ethoxy]ethoxy]ethyl prop-2-enoate
CID 171586984
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 122216436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate (CID 54530313) is 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCC1OCC(C)(C)CO1.
What is the InChIKey of 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate?
The InChIKey is YWBCPQZKMHMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-4-11(14)16-8-7-15-6-5-12-17-9-13(2,3)10-18-12/h4,12H,1,5-10H2,2-3H3.
What are the key properties of 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate?
2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate has a molecular weight of 258.31 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 54530313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).