tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane

C14H28O2Si — CID 140674612

IUPACtert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@H]2O[C@@H]2CC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-7-6-8-12-13(15-12)10-9-11/h11-13H,6-10H2,1-5H3/t11-,12-,13+/m0/s1
InChIKeyYCNYZLSQVIWCHU-RWMBFGLXSA-N
MW256.46 g/mol
LogP4.11
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane (PubChem CID 140674612) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
PubChem CID140674612
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@H]2O[C@@H]2CC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-7-6-8-12-13(15-12)10-9-11/h11-13H,6-10H2,1-5H3/t11-,12-,13+/m0/s1
InChIKeyYCNYZLSQVIWCHU-RWMBFGLXSA-N
XLogP4.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane (CID 140674612) is tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@H]2O[C@@H]2CC1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane?
The InChIKey is YCNYZLSQVIWCHU-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-7-6-8-12-13(15-12)10-9-11/h11-13H,6-10H2,1-5H3/t11-,12-,13+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane has a molecular weight of 256.46 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane is sourced from PubChem (CID 140674612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).