3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane

C16H34BClO4Si — CID 71484184

IUPAC3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
SMILESCC(C)O[Si](CCCCl)(CB1OC(C)(C)C(C)(C)O1)OC(C)C
InChIInChI=1S/C16H34BClO4Si/c1-13(2)19-23(11-9-10-18,20-14(3)4)12-17-21-15(5,6)16(7,8)22-17/h13-14H,9-12H2,1-8H3
InChIKeyONFSLLLOSFNTCH-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.54
Rot. Bonds9

About 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane

3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane (PubChem CID 71484184) has the molecular formula C16H34BClO4Si and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane.

Molecular Properties

Compound Name3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
PubChem CID71484184
Molecular FormulaC16H34BClO4Si
Molecular Weight364.80 g/mol
Exact Mass364.20
IUPAC Name3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
SMILESCC(C)O[Si](CCCCl)(CB1OC(C)(C)C(C)(C)O1)OC(C)C
InChIInChI=1S/C16H34BClO4Si/c1-13(2)19-23(11-9-10-18,20-14(3)4)12-17-21-15(5,6)16(7,8)22-17/h13-14H,9-12H2,1-8H3
InChIKeyONFSLLLOSFNTCH-UHFFFAOYSA-N
XLogP4.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane?
The IUPAC name of 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane (CID 71484184) is 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane.
What is the SMILES notation for 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane?
The canonical SMILES for 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane is CC(C)O[Si](CCCCl)(CB1OC(C)(C)C(C)(C)O1)OC(C)C.
What is the InChIKey of 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane?
The InChIKey is ONFSLLLOSFNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34BClO4Si/c1-13(2)19-23(11-9-10-18,20-14(3)4)12-17-21-15(5,6)16(7,8)22-17/h13-14H,9-12H2,1-8H3.
What are the key properties of 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane?
3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane has a molecular weight of 364.80 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane is sourced from PubChem (CID 71484184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).