2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde

C11H25NO3Si2 — CID 12013275

IUPAC2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde
SMILESC[Si]1(C)CC[Si](C)(C)OCCN(C=O)CCO1
InChIInChI=1S/C11H25NO3Si2/c1-16(2)9-10-17(3,4)15-8-6-12(11-13)5-7-14-16/h11H,5-10H2,1-4H3
InChIKeyXXUSIMBUHZPYFP-UHFFFAOYSA-N
MW275.50 g/mol
LogP1.90
Rot. Bonds1

About 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde

2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde (PubChem CID 12013275) has the molecular formula C11H25NO3Si2 and a molecular weight of 275.50 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde
PubChem CID12013275
Molecular FormulaC11H25NO3Si2
Molecular Weight275.50 g/mol
Exact Mass275.14
IUPAC Name2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde
SMILESC[Si]1(C)CC[Si](C)(C)OCCN(C=O)CCO1
InChIInChI=1S/C11H25NO3Si2/c1-16(2)9-10-17(3,4)15-8-6-12(11-13)5-7-14-16/h11H,5-10H2,1-4H3
InChIKeyXXUSIMBUHZPYFP-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde?
The IUPAC name of 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde (CID 12013275) is 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde?
The canonical SMILES for 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde is C[Si]1(C)CC[Si](C)(C)OCCN(C=O)CCO1.
What is the InChIKey of 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde?
The InChIKey is XXUSIMBUHZPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3Si2/c1-16(2)9-10-17(3,4)15-8-6-12(11-13)5-7-14-16/h11H,5-10H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde?
2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde has a molecular weight of 275.50 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carbaldehyde is sourced from PubChem (CID 12013275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).