CID 134901565

C20H39O2Si — CID 134901565

IUPAC—
SMILESC=CC(CCCCCCOC1CCCCO1)[Si](CCC)CCC
InChIInChI=1S/C20H39O2Si/c1-4-17-23(18-5-2)19(6-3)13-9-7-8-11-15-21-20-14-10-12-16-22-20/h6,19-20H,3-5,7-18H2,1-2H3
InChIKeyBBJFTFXRELVXRS-UHFFFAOYSA-N
MW339.62 g/mol
LogP6.35
Rot. Bonds14

About CID 134901565

CID 134901565 (PubChem CID 134901565) has the molecular formula C20H39O2Si and a molecular weight of 339.62 g/mol.

Molecular Properties

Compound NameCID 134901565
PubChem CID134901565
Molecular FormulaC20H39O2Si
Molecular Weight339.62 g/mol
Exact Mass339.27
IUPAC Name—
SMILESC=CC(CCCCCCOC1CCCCO1)[Si](CCC)CCC
InChIInChI=1S/C20H39O2Si/c1-4-17-23(18-5-2)19(6-3)13-9-7-8-11-15-21-20-14-10-12-16-22-20/h6,19-20H,3-5,7-18H2,1-2H3
InChIKeyBBJFTFXRELVXRS-UHFFFAOYSA-N
XLogP6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.62
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 134901565?
The IUPAC name of CID 134901565 (CID 134901565) is not available.
What is the SMILES notation for CID 134901565?
The canonical SMILES for CID 134901565 is C=CC(CCCCCCOC1CCCCO1)[Si](CCC)CCC.
What is the InChIKey of CID 134901565?
The InChIKey is BBJFTFXRELVXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O2Si/c1-4-17-23(18-5-2)19(6-3)13-9-7-8-11-15-21-20-14-10-12-16-22-20/h6,19-20H,3-5,7-18H2,1-2H3.
What are the key properties of CID 134901565?
CID 134901565 has a molecular weight of 339.62 g/mol, XLogP of 6.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134901565 is sourced from PubChem (CID 134901565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).