2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H21BO2 — CID 155904381

IUPAC2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C\B1OC(C)(C)C(C)(C)O1)C1CC1
InChIInChI=1S/C12H21BO2/c1-9(10-6-7-10)8-13-14-11(2,3)12(4,5)15-13/h8,10H,6-7H2,1-5H3/b9-8+
InChIKeyJCKOHJOCBUCCHR-CMDGGOBGSA-N
MW208.11 g/mol
LogP2.97
Rot. Bonds2

About 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155904381) has the molecular formula C12H21BO2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155904381
Molecular FormulaC12H21BO2
Molecular Weight208.11 g/mol
Exact Mass208.16
IUPAC Name2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C\B1OC(C)(C)C(C)(C)O1)C1CC1
InChIInChI=1S/C12H21BO2/c1-9(10-6-7-10)8-13-14-11(2,3)12(4,5)15-13/h8,10H,6-7H2,1-5H3/b9-8+
InChIKeyJCKOHJOCBUCCHR-CMDGGOBGSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
2-(Cyclohexylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12569888
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-2-yl)-1,3,2-dioxaborolane
CID 154712902
2-(Cyclopentylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15260011
2-(1-Cyclopropylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67459974
4,4,5,5-Tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221109
2-(Cyclobutylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132327964
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536
2-(1-Ethenylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165605375

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155904381) is 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(=C\B1OC(C)(C)C(C)(C)O1)C1CC1.
What is the InChIKey of 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JCKOHJOCBUCCHR-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H21BO2/c1-9(10-6-7-10)8-13-14-11(2,3)12(4,5)15-13/h8,10H,6-7H2,1-5H3/b9-8+.
What are the key properties of 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 208.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155904381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).