tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane

C18H37ClO2Si2 — CID 11047069

IUPACtert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C(Cl)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37ClO2Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19)16(15)21-23(9,10)18(4,5)6/h12,15-16H,11,13H2,1-10H3/t15-,16+/m0/s1
InChIKeyKBOABIWRHRIEKK-JKSUJKDBSA-N
MW377.12 g/mol
LogP6.68
Rot. Bonds4

About tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11047069) has the molecular formula C18H37ClO2Si2 and a molecular weight of 377.12 g/mol. Its IUPAC name is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID11047069
Molecular FormulaC18H37ClO2Si2
Molecular Weight377.12 g/mol
Exact Mass376.20
IUPAC Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C(Cl)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37ClO2Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19)16(15)21-23(9,10)18(4,5)6/h12,15-16H,11,13H2,1-10H3/t15-,16+/m0/s1
InChIKeyKBOABIWRHRIEKK-JKSUJKDBSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.12
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane (CID 11047069) is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCC=C(Cl)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is KBOABIWRHRIEKK-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H37ClO2Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19)16(15)21-23(9,10)18(4,5)6/h12,15-16H,11,13H2,1-10H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 377.12 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-chlorocyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11047069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).