CID 67550779

C22H31OSi — CID 67550779

IUPAC—
SMILESC=CCOc1c(C2=CCC([Si](C)C)=C2C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C22H31OSi/c1-9-12-23-21-18(13-15(2)14-19(21)22(4,5)6)17-10-11-20(16(17)3)24(7)8/h9-10,13-14H,1,11-12H2,2-8H3
InChIKeyANHLALRJPDIVDM-UHFFFAOYSA-N
MW339.58 g/mol
LogP6.25
Rot. Bonds5

About CID 67550779

CID 67550779 (PubChem CID 67550779) has the molecular formula C22H31OSi and a molecular weight of 339.58 g/mol.

Molecular Properties

Compound NameCID 67550779
PubChem CID67550779
Molecular FormulaC22H31OSi
Molecular Weight339.58 g/mol
Exact Mass339.21
IUPAC Name—
SMILESC=CCOc1c(C2=CCC([Si](C)C)=C2C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C22H31OSi/c1-9-12-23-21-18(13-15(2)14-19(21)22(4,5)6)17-10-11-20(16(17)3)24(7)8/h9-10,13-14H,1,11-12H2,2-8H3
InChIKeyANHLALRJPDIVDM-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.58
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 67550779?
The IUPAC name of CID 67550779 (CID 67550779) is not available.
What is the SMILES notation for CID 67550779?
The canonical SMILES for CID 67550779 is C=CCOc1c(C2=CCC([Si](C)C)=C2C)cc(C)cc1C(C)(C)C.
What is the InChIKey of CID 67550779?
The InChIKey is ANHLALRJPDIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31OSi/c1-9-12-23-21-18(13-15(2)14-19(21)22(4,5)6)17-10-11-20(16(17)3)24(7)8/h9-10,13-14H,1,11-12H2,2-8H3.
What are the key properties of CID 67550779?
CID 67550779 has a molecular weight of 339.58 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67550779 is sourced from PubChem (CID 67550779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).