2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane

C11H20OSi — CID 11481014

IUPAC2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane
SMILESC[Si](C)(C)OC1=C2CCCC2CC1
InChIInChI=1S/C11H20OSi/c1-13(2,3)12-11-8-7-9-5-4-6-10(9)11/h9H,4-8H2,1-3H3
InChIKeyPSRLQMVPYNSKQS-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.69
Rot. Bonds2

About 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane

2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane (PubChem CID 11481014) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane
PubChem CID11481014
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane
SMILESC[Si](C)(C)OC1=C2CCCC2CC1
InChIInChI=1S/C11H20OSi/c1-13(2,3)12-11-8-7-9-5-4-6-10(9)11/h9H,4-8H2,1-3H3
InChIKeyPSRLQMVPYNSKQS-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.69
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 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane?
The IUPAC name of 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane (CID 11481014) is 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane?
The canonical SMILES for 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane is C[Si](C)(C)OC1=C2CCCC2CC1.
What is the InChIKey of 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane?
The InChIKey is PSRLQMVPYNSKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-13(2,3)12-11-8-7-9-5-4-6-10(9)11/h9H,4-8H2,1-3H3.
What are the key properties of 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane?
2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane has a molecular weight of 196.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydropentalen-1-yloxy(trimethyl)silane is sourced from PubChem (CID 11481014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).