(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol

C8H15BO3 — CID 166102136

IUPAC(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
SMILESCC1(C)OB(/C=C/O)OC1(C)C
InChIInChI=1S/C8H15BO3/c1-7(2)8(3,4)12-9(11-7)5-6-10/h5-6,10H,1-4H3/b6-5+
InChIKeyKCTTWKDMRCBPAO-AATRIKPKSA-N
MW170.02 g/mol
LogP1.69
Rot. Bonds1

About (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol

(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol (PubChem CID 166102136) has the molecular formula C8H15BO3 and a molecular weight of 170.02 g/mol. Its IUPAC name is (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol.

Molecular Properties

Compound Name(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
PubChem CID166102136
Molecular FormulaC8H15BO3
Molecular Weight170.02 g/mol
Exact Mass170.11
IUPAC Name(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
SMILESCC1(C)OB(/C=C/O)OC1(C)C
InChIInChI=1S/C8H15BO3/c1-7(2)8(3,4)12-9(11-7)5-6-10/h5-6,10H,1-4H3/b6-5+
InChIKeyKCTTWKDMRCBPAO-AATRIKPKSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.02
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-one
CID 11745556
(2R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
CID 171156333
CID 155885641
CID 155885641
2-(3-bromoprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71332875
2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101232654
ethane;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
CID 153403088
(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 67227822
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile
CID 102423733
4,4,5,5-tetramethyl-2-(3-methylpent-1-enyl)-1,3,2-dioxaborolane
CID 85151128
2-[(E)-5-chloropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11128132
2-[(E)-3-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140824914
4,4,5,5-tetramethyl-2-[(E)-2-(1-methylsulfanylcyclopropyl)ethenyl]-1,3,2-dioxaborolane
CID 165465545

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol?
The IUPAC name of (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol (CID 166102136) is (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol.
What is the SMILES notation for (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol?
The canonical SMILES for (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol is CC1(C)OB(/C=C/O)OC1(C)C.
What is the InChIKey of (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol?
The InChIKey is KCTTWKDMRCBPAO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15BO3/c1-7(2)8(3,4)12-9(11-7)5-6-10/h5-6,10H,1-4H3/b6-5+.
What are the key properties of (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol?
(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol has a molecular weight of 170.02 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol is sourced from PubChem (CID 166102136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).