CID 163406004

C11H23O2Si — CID 163406004

IUPAC—
SMILESC=C(C)CC[Si](OC(C)C)OC(C)C
InChIInChI=1S/C11H23O2Si/c1-9(2)7-8-14(12-10(3)4)13-11(5)6/h10-11H,1,7-8H2,2-6H3
InChIKeyFSOXFKVCRXRTGS-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.29
Rot. Bonds7

About CID 163406004

CID 163406004 (PubChem CID 163406004) has the molecular formula C11H23O2Si and a molecular weight of 215.39 g/mol.

Molecular Properties

Compound NameCID 163406004
PubChem CID163406004
Molecular FormulaC11H23O2Si
Molecular Weight215.39 g/mol
Exact Mass215.15
IUPAC Name—
SMILESC=C(C)CC[Si](OC(C)C)OC(C)C
InChIInChI=1S/C11H23O2Si/c1-9(2)7-8-14(12-10(3)4)13-11(5)6/h10-11H,1,7-8H2,2-6H3
InChIKeyFSOXFKVCRXRTGS-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163406004?
The IUPAC name of CID 163406004 (CID 163406004) is not available.
What is the SMILES notation for CID 163406004?
The canonical SMILES for CID 163406004 is C=C(C)CC[Si](OC(C)C)OC(C)C.
What is the InChIKey of CID 163406004?
The InChIKey is FSOXFKVCRXRTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O2Si/c1-9(2)7-8-14(12-10(3)4)13-11(5)6/h10-11H,1,7-8H2,2-6H3.
What are the key properties of CID 163406004?
CID 163406004 has a molecular weight of 215.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163406004 is sourced from PubChem (CID 163406004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).