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

C16H32BClO3Si — CID 56945598

IUPAC[(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)C/C(=C\CCCl)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H32BClO3Si/c1-13(2)19-22(7,8)12-14(10-9-11-18)17-20-15(3,4)16(5,6)21-17/h10,13H,9,11-12H2,1-8H3/b14-10+
InChIKeyWLJNXCNPFBILPR-GXDHUFHOSA-N
MW346.78 g/mol
LogP4.80
Rot. Bonds7

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

[(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane (PubChem CID 56945598) has the molecular formula C16H32BClO3Si and a molecular weight of 346.78 g/mol. Its IUPAC name is [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane.

Molecular Properties

Compound Name[(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane
PubChem CID56945598
Molecular FormulaC16H32BClO3Si
Molecular Weight346.78 g/mol
Exact Mass346.19
IUPAC Name[(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)C/C(=C\CCCl)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H32BClO3Si/c1-13(2)19-22(7,8)12-14(10-9-11-18)17-20-15(3,4)16(5,6)21-17/h10,13H,9,11-12H2,1-8H3/b14-10+
InChIKeyWLJNXCNPFBILPR-GXDHUFHOSA-N
XLogP4.80
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 ≤ 54.80
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-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane?
The IUPAC name of [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane (CID 56945598) is [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane.
What is the SMILES notation for [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane?
The canonical SMILES for [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane is CC(C)O[Si](C)(C)C/C(=C\CCCl)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane?
The InChIKey is WLJNXCNPFBILPR-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H32BClO3Si/c1-13(2)19-22(7,8)12-14(10-9-11-18)17-20-15(3,4)16(5,6)21-17/h10,13H,9,11-12H2,1-8H3/b14-10+.
What are the key properties of [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane?
[(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane has a molecular weight of 346.78 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-enyl]-dimethyl-propan-2-yloxysilane is sourced from PubChem (CID 56945598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).