CID 21116327

C8H16O2Si — CID 21116327

IUPAC—
SMILESC=CC[Si]C(OCC)OCC
InChIInChI=1S/C8H16O2Si/c1-4-7-11-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyJGOMRCWZBWVPBW-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.65
Rot. Bonds7

About CID 21116327

CID 21116327 (PubChem CID 21116327) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol.

Molecular Properties

Compound NameCID 21116327
PubChem CID21116327
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name—
SMILESC=CC[Si]C(OCC)OCC
InChIInChI=1S/C8H16O2Si/c1-4-7-11-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyJGOMRCWZBWVPBW-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.65
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 21116327?
The IUPAC name of CID 21116327 (CID 21116327) is not available.
What is the SMILES notation for CID 21116327?
The canonical SMILES for CID 21116327 is C=CC[Si]C(OCC)OCC.
What is the InChIKey of CID 21116327?
The InChIKey is JGOMRCWZBWVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-4-7-11-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of CID 21116327?
CID 21116327 has a molecular weight of 172.30 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21116327 is sourced from PubChem (CID 21116327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).