CID 58898432

C9H18O3Si — CID 58898432

IUPAC—
SMILESCCC1(CCOC[Si]OC)COC1
InChIInChI=1S/C9H18O3Si/c1-3-9(6-12-7-9)4-5-11-8-13-10-2/h3-8H2,1-2H3
InChIKeyIPDXYCQCQMVKRI-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.04
Rot. Bonds7

About CID 58898432

CID 58898432 (PubChem CID 58898432) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol.

Molecular Properties

Compound NameCID 58898432
PubChem CID58898432
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name—
SMILESCCC1(CCOC[Si]OC)COC1
InChIInChI=1S/C9H18O3Si/c1-3-9(6-12-7-9)4-5-11-8-13-10-2/h3-8H2,1-2H3
InChIKeyIPDXYCQCQMVKRI-UHFFFAOYSA-N
XLogP1.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58898432?
The IUPAC name of CID 58898432 (CID 58898432) is not available.
What is the SMILES notation for CID 58898432?
The canonical SMILES for CID 58898432 is CCC1(CCOC[Si]OC)COC1.
What is the InChIKey of CID 58898432?
The InChIKey is IPDXYCQCQMVKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-3-9(6-12-7-9)4-5-11-8-13-10-2/h3-8H2,1-2H3.
What are the key properties of CID 58898432?
CID 58898432 has a molecular weight of 202.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58898432 is sourced from PubChem (CID 58898432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).