(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate

C9H15BO4 — CID 172738718

IUPAC(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H15BO4/c1-6-7(11)12-10-13-8(2,3)9(4,5)14-10/h6H,1H2,2-5H3
InChIKeyIUIIWNZKKDVNDS-UHFFFAOYSA-N
MW198.03 g/mol
LogP1.30
Rot. Bonds2

About (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate

(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate (PubChem CID 172738718) has the molecular formula C9H15BO4 and a molecular weight of 198.03 g/mol. Its IUPAC name is (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate
PubChem CID172738718
Molecular FormulaC9H15BO4
Molecular Weight198.03 g/mol
Exact Mass198.11
IUPAC Name(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H15BO4/c1-6-7(11)12-10-13-8(2,3)9(4,5)14-10/h6H,1H2,2-5H3
InChIKeyIUIIWNZKKDVNDS-UHFFFAOYSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.03
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) but-3-enoate
CID 57416202
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
acetonitrile;methyl prop-2-enoate
CID 157447845
4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
CID 101353112
[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate
CID 140812243
chloro acetate;methyl prop-2-enoate
CID 174436882
nonakis(methyl prop-2-enoate);(prop-2-enenitrile)
CID 173438975
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
methyl prop-2-enoate;sulfuric acid
CID 174506127

Frequently Asked Questions

What is the IUPAC name of (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate?
The IUPAC name of (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate (CID 172738718) is (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate.
What is the SMILES notation for (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate?
The canonical SMILES for (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate is C=CC(=O)OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate?
The InChIKey is IUIIWNZKKDVNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BO4/c1-6-7(11)12-10-13-8(2,3)9(4,5)14-10/h6H,1H2,2-5H3.
What are the key properties of (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate?
(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate has a molecular weight of 198.03 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate is sourced from PubChem (CID 172738718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).