(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid

C10H17BO4 — CID 70944716

IUPAC(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
SMILESC/C(=C\C(=O)O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H17BO4/c1-7(6-8(12)13)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)/b7-6+
InChIKeyFSYKAYTUCGGHSD-VOTSOKGWSA-N
MW212.05 g/mol
LogP1.65
Rot. Bonds2

About (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid

(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid (PubChem CID 70944716) has the molecular formula C10H17BO4 and a molecular weight of 212.05 g/mol. Its IUPAC name is (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
PubChem CID70944716
Molecular FormulaC10H17BO4
Molecular Weight212.05 g/mol
Exact Mass212.12
IUPAC Name(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
SMILESC/C(=C\C(=O)O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H17BO4/c1-7(6-8(12)13)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)/b7-6+
InChIKeyFSYKAYTUCGGHSD-VOTSOKGWSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748
(4E)-7-methyl-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,4,6-trien-4-ol
CID 153350614
4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-one
CID 123136704
2-[(E)-1-cyclohexylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67486908
(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine
CID 177171141
N-phenyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enamide
CID 122230898
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-one
CID 11745556
N-[(1E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-1,4-dienyl]methanimine
CID 143898116
[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-enyl] acetate
CID 102140931
methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
CID 144995014
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-2-amine
CID 89033689

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid?
The IUPAC name of (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid (CID 70944716) is (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid.
What is the SMILES notation for (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid?
The canonical SMILES for (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid is C/C(=C\C(=O)O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid?
The InChIKey is FSYKAYTUCGGHSD-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17BO4/c1-7(6-8(12)13)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)/b7-6+.
What are the key properties of (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid?
(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid has a molecular weight of 212.05 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid is sourced from PubChem (CID 70944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).