trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane

C13H26OSi — CID 135015623

IUPACtrimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane
SMILESCC(C)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)12-11-8-6-7-9-13(11,12)14-15(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12-,13+/m0/s1
InChIKeyUSMSTWKTQCOPCJ-RWMBFGLXSA-N
MW226.44 g/mol
LogP4.05
Rot. Bonds3

About trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane

trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane (PubChem CID 135015623) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane
PubChem CID135015623
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametrimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane
SMILESCC(C)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)12-11-8-6-7-9-13(11,12)14-15(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12-,13+/m0/s1
InChIKeyUSMSTWKTQCOPCJ-RWMBFGLXSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane with MolForge

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Related Compounds

1-(Trimethylsiloxy)-7,7-difluorobicyclo[4.1.0]heptane
CID 53307531
[(1R,6R)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 101512771
1-Trimethylsiloxybicyclo[4.1.0]heptane
CID 11063094
trimethyl-[[(1S,5S,6R)-5-methyl-1-bicyclo[4.1.0]heptanyl]oxy]silane
CID 11769486
[(Bicyclo[5.1.0]octan-1-yl)oxy](trimethyl)silane
CID 12627952
Trimethyl-[(6-methyl-1-bicyclo[4.1.0]heptanyl)oxy]silane
CID 13183995
trimethyl-[[(1R,6R)-6-methyl-1-bicyclo[4.1.0]heptanyl]oxy]silane
CID 50993556
[(1R,6R)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403949
(2,6-Dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
CID 135037711
[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129406247
[(1R,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129406248
[(1S,6R)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129406249

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane (CID 135015623) is trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane is CC(C)[C@H]1[C@@H]2CCCC[C@@]21O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane?
The InChIKey is USMSTWKTQCOPCJ-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H26OSi/c1-10(2)12-11-8-6-7-9-13(11,12)14-15(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12-,13+/m0/s1.
What are the key properties of trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane?
trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane has a molecular weight of 226.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane is sourced from PubChem (CID 135015623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).