CID 173400543

C8H12O2Si — CID 173400543

IUPAC—
SMILESC=C(C(=O)[SiH])C1CCCCO1
InChIInChI=1S/C8H12O2Si/c1-6(8(9)11)7-4-2-3-5-10-7/h7,11H,1-5H2
InChIKeyJMZSKBAOITYCOB-UHFFFAOYSA-N
MW168.27 g/mol
LogP0.54
Rot. Bonds2

About CID 173400543

CID 173400543 (PubChem CID 173400543) has the molecular formula C8H12O2Si and a molecular weight of 168.27 g/mol.

Molecular Properties

Compound NameCID 173400543
PubChem CID173400543
Molecular FormulaC8H12O2Si
Molecular Weight168.27 g/mol
Exact Mass168.06
IUPAC Name—
SMILESC=C(C(=O)[SiH])C1CCCCO1
InChIInChI=1S/C8H12O2Si/c1-6(8(9)11)7-4-2-3-5-10-7/h7,11H,1-5H2
InChIKeyJMZSKBAOITYCOB-UHFFFAOYSA-N
XLogP0.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173400543?
The IUPAC name of CID 173400543 (CID 173400543) is not available.
What is the SMILES notation for CID 173400543?
The canonical SMILES for CID 173400543 is C=C(C(=O)[SiH])C1CCCCO1.
What is the InChIKey of CID 173400543?
The InChIKey is JMZSKBAOITYCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2Si/c1-6(8(9)11)7-4-2-3-5-10-7/h7,11H,1-5H2.
What are the key properties of CID 173400543?
CID 173400543 has a molecular weight of 168.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173400543 is sourced from PubChem (CID 173400543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).