[(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane

C16H32BClO3Si — CID 135062020

IUPAC[(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)/C(=C\B1OC(C)(C)C(C)(C)O1)CCCCl
InChIInChI=1S/C16H32BClO3Si/c1-13(2)19-22(7,8)14(10-9-11-18)12-17-20-15(3,4)16(5,6)21-17/h12-13H,9-11H2,1-8H3/b14-12-
InChIKeyHESJIFLGOBQNTH-OWBHPGMISA-N
MW346.78 g/mol
LogP4.73
Rot. Bonds7

About [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane

[(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane (PubChem CID 135062020) has the molecular formula C16H32BClO3Si and a molecular weight of 346.78 g/mol. Its IUPAC name is [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane.

Molecular Properties

Compound Name[(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane
PubChem CID135062020
Molecular FormulaC16H32BClO3Si
Molecular Weight346.78 g/mol
Exact Mass346.19
IUPAC Name[(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)/C(=C\B1OC(C)(C)C(C)(C)O1)CCCCl
InChIInChI=1S/C16H32BClO3Si/c1-13(2)19-22(7,8)14(10-9-11-18)12-17-20-15(3,4)16(5,6)21-17/h12-13H,9-11H2,1-8H3/b14-12-
InChIKeyHESJIFLGOBQNTH-OWBHPGMISA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane?
The IUPAC name of [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane (CID 135062020) is [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane.
What is the SMILES notation for [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane?
The canonical SMILES for [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane is CC(C)O[Si](C)(C)/C(=C\B1OC(C)(C)C(C)(C)O1)CCCCl.
What is the InChIKey of [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane?
The InChIKey is HESJIFLGOBQNTH-OWBHPGMISA-N. The full InChI is InChI=1S/C16H32BClO3Si/c1-13(2)19-22(7,8)14(10-9-11-18)12-17-20-15(3,4)16(5,6)21-17/h12-13H,9-11H2,1-8H3/b14-12-.
What are the key properties of [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane?
[(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane has a molecular weight of 346.78 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-chloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-dimethyl-propan-2-yloxysilane is sourced from PubChem (CID 135062020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).