tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C14H26Br2O3Si — CID 134856453

IUPACtert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=C(Br)Br)O1
InChIInChI=1S/C14H26Br2O3Si/c1-13(2,3)20(6,7)17-9-11-10(8-12(15)16)18-14(4,5)19-11/h8,10-11H,9H2,1-7H3/t10-,11+/m1/s1
InChIKeyKTIZQAJDTLXZMO-MNOVXSKESA-N
MW430.25 g/mol
LogP5.16
Rot. Bonds4

About tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 134856453) has the molecular formula C14H26Br2O3Si and a molecular weight of 430.25 g/mol. Its IUPAC name is tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID134856453
Molecular FormulaC14H26Br2O3Si
Molecular Weight430.25 g/mol
Exact Mass428.00
IUPAC Nametert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=C(Br)Br)O1
InChIInChI=1S/C14H26Br2O3Si/c1-13(2,3)20(6,7)17-9-11-10(8-12(15)16)18-14(4,5)19-11/h8,10-11H,9H2,1-7H3/t10-,11+/m1/s1
InChIKeyKTIZQAJDTLXZMO-MNOVXSKESA-N
XLogP5.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 134856453) is tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=C(Br)Br)O1.
What is the InChIKey of tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is KTIZQAJDTLXZMO-MNOVXSKESA-N. The full InChI is InChI=1S/C14H26Br2O3Si/c1-13(2,3)20(6,7)17-9-11-10(8-12(15)16)18-14(4,5)19-11/h8,10-11H,9H2,1-7H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 430.25 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5R)-5-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 134856453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).