tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane

C18H36O2Si2 — CID 138973333

IUPACtert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1[C@]2(C)CC(O[Si](C)(C)C)=C[C@]12C
InChIInChI=1S/C18H36O2Si2/c1-16(2,3)22(9,10)19-13-15-17(4)11-14(12-18(15,17)5)20-21(6,7)8/h11,15H,12-13H2,1-10H3/t15?,17-,18+/m1/s1
InChIKeyOXBMJBRHAWIYRX-KVJCIMDZSA-N
MW340.66 g/mol
LogP5.79
Rot. Bonds5

About tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane (PubChem CID 138973333) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane
PubChem CID138973333
Molecular FormulaC18H36O2Si2
Molecular Weight340.66 g/mol
Exact Mass340.23
IUPAC Nametert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1[C@]2(C)CC(O[Si](C)(C)C)=C[C@]12C
InChIInChI=1S/C18H36O2Si2/c1-16(2,3)22(9,10)19-13-15-17(4)11-14(12-18(15,17)5)20-21(6,7)8/h11,15H,12-13H2,1-10H3/t15?,17-,18+/m1/s1
InChIKeyOXBMJBRHAWIYRX-KVJCIMDZSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane
CID 11390785
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
CID 99772921
tert-butyl-dimethyl-[[(1R,5S)-5-methyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane
CID 102323746
tert-butyl-dimethyl-[[(1R,5S)-5-propan-2-yl-3-bicyclo[3.1.0]hex-2-enyl]oxy]silane
CID 102323747
tert-butyl-[[(1S,5S)-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane
CID 134855802
tert-butyl-dimethyl-[[(1S,5R)-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]silane
CID 134906272
(4-Tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane
CID 12750414
tert-butyl-dimethyl-[[(1S,2R)-2-[(E)-6-methylhept-2-en-2-yl]-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
CID 71177702
tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
CID 91339819
[2,2-Di(cyclopenta-2,4-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
CID 141585264

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane (CID 138973333) is tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1[C@]2(C)CC(O[Si](C)(C)C)=C[C@]12C.
What is the InChIKey of tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane?
The InChIKey is OXBMJBRHAWIYRX-KVJCIMDZSA-N. The full InChI is InChI=1S/C18H36O2Si2/c1-16(2,3)22(9,10)19-13-15-17(4)11-14(12-18(15,17)5)20-21(6,7)8/h11,15H,12-13H2,1-10H3/t15?,17-,18+/m1/s1.
What are the key properties of tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane has a molecular weight of 340.66 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane is sourced from PubChem (CID 138973333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).