tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane

C14H26OSi — CID 11390785

IUPACtert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)C[C@@]2(C)C1
InChIInChI=1S/C14H26OSi/c1-12(2,3)16(6,7)15-11-8-13(4)10-14(13,5)9-11/h8H,9-10H2,1-7H3/t13-,14+/m0/s1
InChIKeyWHMAIZCMWHDADL-UONOGXRCSA-N
MW238.45 g/mol
LogP4.71
Rot. Bonds2

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

tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane (PubChem CID 11390785) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane
PubChem CID11390785
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)C[C@@]2(C)C1
InChIInChI=1S/C14H26OSi/c1-12(2,3)16(6,7)15-11-8-13(4)10-14(13,5)9-11/h8H,9-10H2,1-7H3/t13-,14+/m0/s1
InChIKeyWHMAIZCMWHDADL-UONOGXRCSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane (CID 11390785) is tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)C[C@@]2(C)C1.
What is the InChIKey of tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane?
The InChIKey is WHMAIZCMWHDADL-UONOGXRCSA-N. The full InChI is InChI=1S/C14H26OSi/c1-12(2,3)16(6,7)15-11-8-13(4)10-14(13,5)9-11/h8H,9-10H2,1-7H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,5S)-1,5-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 11390785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).