2-trimethylsilyloxyoxane-2-carbaldehyde

C9H18O3Si — CID 175334289

IUPAC2-trimethylsilyloxyoxane-2-carbaldehyde
SMILESC[Si](C)(C)OC1(C=O)CCCCO1
InChIInChI=1S/C9H18O3Si/c1-13(2,3)12-9(8-10)6-4-5-7-11-9/h8H,4-7H2,1-3H3
InChIKeyDOYHZKJPJNHZOL-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.93
Rot. Bonds3

About 2-trimethylsilyloxyoxane-2-carbaldehyde

2-trimethylsilyloxyoxane-2-carbaldehyde (PubChem CID 175334289) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 2-trimethylsilyloxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name2-trimethylsilyloxyoxane-2-carbaldehyde
PubChem CID175334289
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name2-trimethylsilyloxyoxane-2-carbaldehyde
SMILESC[Si](C)(C)OC1(C=O)CCCCO1
InChIInChI=1S/C9H18O3Si/c1-13(2,3)12-9(8-10)6-4-5-7-11-9/h8H,4-7H2,1-3H3
InChIKeyDOYHZKJPJNHZOL-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.93
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-trimethylsilyloxyoxane-2-carbaldehyde?
The IUPAC name of 2-trimethylsilyloxyoxane-2-carbaldehyde (CID 175334289) is 2-trimethylsilyloxyoxane-2-carbaldehyde.
What is the SMILES notation for 2-trimethylsilyloxyoxane-2-carbaldehyde?
The canonical SMILES for 2-trimethylsilyloxyoxane-2-carbaldehyde is C[Si](C)(C)OC1(C=O)CCCCO1.
What is the InChIKey of 2-trimethylsilyloxyoxane-2-carbaldehyde?
The InChIKey is DOYHZKJPJNHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-13(2,3)12-9(8-10)6-4-5-7-11-9/h8H,4-7H2,1-3H3.
What are the key properties of 2-trimethylsilyloxyoxane-2-carbaldehyde?
2-trimethylsilyloxyoxane-2-carbaldehyde has a molecular weight of 202.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyoxane-2-carbaldehyde is sourced from PubChem (CID 175334289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).