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

C14H23BO4 — CID 155820851

IUPACethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(/B1OC(C)(C)C(C)(C)O1)C1CC1
InChIInChI=1S/C14H23BO4/c1-6-17-12(16)9-11(10-7-8-10)15-18-13(2,3)14(4,5)19-15/h9-10H,6-8H2,1-5H3/b11-9+
InChIKeyRJEBCYDIYWYWNB-PKNBQFBNSA-N
MW266.15 g/mol
LogP2.52
Rot. Bonds4

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

ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate (PubChem CID 155820851) has the molecular formula C14H23BO4 and a molecular weight of 266.15 g/mol. Its IUPAC name is ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
PubChem CID155820851
Molecular FormulaC14H23BO4
Molecular Weight266.15 g/mol
Exact Mass266.17
IUPAC Nameethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(/B1OC(C)(C)C(C)(C)O1)C1CC1
InChIInChI=1S/C14H23BO4/c1-6-17-12(16)9-11(10-7-8-10)15-18-13(2,3)14(4,5)19-15/h9-10H,6-8H2,1-5H3/b11-9+
InChIKeyRJEBCYDIYWYWNB-PKNBQFBNSA-N
XLogP2.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.52
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate (CID 155820851) is ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate is CCOC(=O)/C=C(/B1OC(C)(C)C(C)(C)O1)C1CC1.
What is the InChIKey of ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate?
The InChIKey is RJEBCYDIYWYWNB-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H23BO4/c1-6-17-12(16)9-11(10-7-8-10)15-18-13(2,3)14(4,5)19-15/h9-10H,6-8H2,1-5H3/b11-9+.
What are the key properties of ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate?
ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate has a molecular weight of 266.15 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate is sourced from PubChem (CID 155820851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).