6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane

C12H20OSi — CID 174248793

IUPAC6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane
SMILESCC1(C2=CC=CC2)CCC[Si](C)(C)O1
InChIInChI=1S/C12H20OSi/c1-12(11-7-4-5-8-11)9-6-10-14(2,3)13-12/h4-5,7H,6,8-10H2,1-3H3
InChIKeyAKXXYLVGFLPHMB-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.65
Rot. Bonds1

About 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane

6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane (PubChem CID 174248793) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane.

Molecular Properties

Compound Name6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane
PubChem CID174248793
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane
SMILESCC1(C2=CC=CC2)CCC[Si](C)(C)O1
InChIInChI=1S/C12H20OSi/c1-12(11-7-4-5-8-11)9-6-10-14(2,3)13-12/h4-5,7H,6,8-10H2,1-3H3
InChIKeyAKXXYLVGFLPHMB-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.65
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 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane?
The IUPAC name of 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane (CID 174248793) is 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane.
What is the SMILES notation for 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane?
The canonical SMILES for 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane is CC1(C2=CC=CC2)CCC[Si](C)(C)O1.
What is the InChIKey of 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane?
The InChIKey is AKXXYLVGFLPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-12(11-7-4-5-8-11)9-6-10-14(2,3)13-12/h4-5,7H,6,8-10H2,1-3H3.
What are the key properties of 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane?
6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane has a molecular weight of 208.38 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-1,3-dien-1-yl-2,2,6-trimethyloxasilinane is sourced from PubChem (CID 174248793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).