cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C16H32O2Si2 — CID 123428116

IUPACcyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[SiH2]C1CCCCC1
InChIInChI=1S/C16H32O2Si2/c1-20(2,18-19-14-6-4-3-5-7-14)11-10-13-8-9-15-16(12-13)17-15/h13-16H,3-12,19H2,1-2H3
InChIKeyZNTDFVRFRIXYTN-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.00
Rot. Bonds6

About cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 123428116) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Namecyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID123428116
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Namecyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[SiH2]C1CCCCC1
InChIInChI=1S/C16H32O2Si2/c1-20(2,18-19-14-6-4-3-5-7-14)11-10-13-8-9-15-16(12-13)17-15/h13-16H,3-12,19H2,1-2H3
InChIKeyZNTDFVRFRIXYTN-UHFFFAOYSA-N
XLogP4.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 123428116) is cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is C[Si](C)(CCC1CCC2OC2C1)O[SiH2]C1CCCCC1.
What is the InChIKey of cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is ZNTDFVRFRIXYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-20(2,18-19-14-6-4-3-5-7-14)11-10-13-8-9-15-16(12-13)17-15/h13-16H,3-12,19H2,1-2H3.
What are the key properties of cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 312.60 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsilyloxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 123428116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).