(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate

C13H22O3 — CID 118494757

IUPAC(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(C)C(C)(C)OC1(C)C
InChIInChI=1S/C13H22O3/c1-9(2)10(14)15-8-13(7)11(3,4)16-12(13,5)6/h1,8H2,2-7H3
InChIKeyCOUKFIVWZGKCSC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.70
Rot. Bonds3

About (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate

(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate (PubChem CID 118494757) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
PubChem CID118494757
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(C)C(C)(C)OC1(C)C
InChIInChI=1S/C13H22O3/c1-9(2)10(14)15-8-13(7)11(3,4)16-12(13,5)6/h1,8H2,2-7H3
InChIKeyCOUKFIVWZGKCSC-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 158025898
[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141396871
[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
2-[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 165340782
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
(2,2,3,3,6-pentamethyloxadisilinan-6-yl)methyl 2-methylprop-2-enoate
CID 66887567
(5,5,6,6-tetrafluoro-2-methyl-1,3-dithiepan-2-yl)methyl 2-methylprop-2-enoate
CID 122493344
[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
sodium ethyl 2-methylprop-2-enoate
CID 23346885

Frequently Asked Questions

What is the IUPAC name of (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate (CID 118494757) is (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(C)C(C)(C)OC1(C)C.
What is the InChIKey of (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The InChIKey is COUKFIVWZGKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-9(2)10(14)15-8-13(7)11(3,4)16-12(13,5)6/h1,8H2,2-7H3.
What are the key properties of (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate has a molecular weight of 226.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 118494757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).