CID 171535435

C9H16O2Si — CID 171535435

IUPAC—
SMILESC=CCOC(C[Si]C)OCC=C
InChIInChI=1S/C9H16O2Si/c1-4-6-10-9(8-12-3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyHTUXNEFNCCCNLK-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.89
Rot. Bonds8

About CID 171535435

CID 171535435 (PubChem CID 171535435) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol.

Molecular Properties

Compound NameCID 171535435
PubChem CID171535435
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name—
SMILESC=CCOC(C[Si]C)OCC=C
InChIInChI=1S/C9H16O2Si/c1-4-6-10-9(8-12-3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyHTUXNEFNCCCNLK-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 171535435?
The IUPAC name of CID 171535435 (CID 171535435) is not available.
What is the SMILES notation for CID 171535435?
The canonical SMILES for CID 171535435 is C=CCOC(C[Si]C)OCC=C.
What is the InChIKey of CID 171535435?
The InChIKey is HTUXNEFNCCCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-4-6-10-9(8-12-3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of CID 171535435?
CID 171535435 has a molecular weight of 184.31 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171535435 is sourced from PubChem (CID 171535435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).