triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane

C20H38O2Si — CID 11209955

IUPACtriethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@H]1CC[C@@]2(C)CC[C@@H]3C[C@@]2(C1)OC3(C)C
InChIInChI=1S/C20H38O2Si/c1-7-23(8-2,9-3)21-17-11-13-19(6)12-10-16-14-20(19,15-17)22-18(16,4)5/h16-17H,7-15H2,1-6H3/t16-,17+,19-,20+/m1/s1
InChIKeyYWAGEEPBFCFAPZ-BWPNAZKDSA-N
MW338.61 g/mol
LogP5.91
Rot. Bonds5

About triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane

triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane (PubChem CID 11209955) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane
PubChem CID11209955
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametriethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@H]1CC[C@@]2(C)CC[C@@H]3C[C@@]2(C1)OC3(C)C
InChIInChI=1S/C20H38O2Si/c1-7-23(8-2,9-3)21-17-11-13-19(6)12-10-16-14-20(19,15-17)22-18(16,4)5/h16-17H,7-15H2,1-6H3/t16-,17+,19-,20+/m1/s1
InChIKeyYWAGEEPBFCFAPZ-BWPNAZKDSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane?
The IUPAC name of triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane (CID 11209955) is triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane?
The canonical SMILES for triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane is CC[Si](CC)(CC)O[C@H]1CC[C@@]2(C)CC[C@@H]3C[C@@]2(C1)OC3(C)C.
What is the InChIKey of triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane?
The InChIKey is YWAGEEPBFCFAPZ-BWPNAZKDSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-7-23(8-2,9-3)21-17-11-13-19(6)12-10-16-14-20(19,15-17)22-18(16,4)5/h16-17H,7-15H2,1-6H3/t16-,17+,19-,20+/m1/s1.
What are the key properties of triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane?
triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane has a molecular weight of 338.61 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane is sourced from PubChem (CID 11209955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).