2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate

C12H21O5P — CID 165340782

IUPAC2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H21O5P/c1-9(2)10(13)14-7-8-15-18-16-11(3,4)12(5,6)17-18/h1,7-8H2,2-6H3
InChIKeyIFNVOPRVSHVIBD-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.95
Rot. Bonds5

About 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate

2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate (PubChem CID 165340782) has the molecular formula C12H21O5P and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate
PubChem CID165340782
Molecular FormulaC12H21O5P
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H21O5P/c1-9(2)10(13)14-7-8-15-18-16-11(3,4)12(5,6)17-18/h1,7-8H2,2-6H3
InChIKeyIFNVOPRVSHVIBD-UHFFFAOYSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.95
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-[ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]silyl]oxyethyl 2-methylprop-2-enoate
CID 123640715
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate (CID 165340782) is 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOP1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
The InChIKey is IFNVOPRVSHVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O5P/c1-9(2)10(13)14-7-8-15-18-16-11(3,4)12(5,6)17-18/h1,7-8H2,2-6H3.
What are the key properties of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate?
2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate has a molecular weight of 276.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 165340782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).