CID 23374087

C20H39OSi — CID 23374087

IUPAC—
SMILESCCCCC[Si]1CCC(C2CCC(CCCOC)CC2)CC1
InChIInChI=1S/C20H39OSi/c1-3-4-5-15-22-16-12-20(13-17-22)19-10-8-18(9-11-19)7-6-14-21-2/h18-20H,3-17H2,1-2H3
InChIKeyHFMWPCVAMFNKMJ-UHFFFAOYSA-N
MW323.62 g/mol
LogP6.31
Rot. Bonds9

About CID 23374087

CID 23374087 (PubChem CID 23374087) has the molecular formula C20H39OSi and a molecular weight of 323.62 g/mol.

Molecular Properties

Compound NameCID 23374087
PubChem CID23374087
Molecular FormulaC20H39OSi
Molecular Weight323.62 g/mol
Exact Mass323.28
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2CCC(CCCOC)CC2)CC1
InChIInChI=1S/C20H39OSi/c1-3-4-5-15-22-16-12-20(13-17-22)19-10-8-18(9-11-19)7-6-14-21-2/h18-20H,3-17H2,1-2H3
InChIKeyHFMWPCVAMFNKMJ-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.62
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23374087?
The IUPAC name of CID 23374087 (CID 23374087) is not available.
What is the SMILES notation for CID 23374087?
The canonical SMILES for CID 23374087 is CCCCC[Si]1CCC(C2CCC(CCCOC)CC2)CC1.
What is the InChIKey of CID 23374087?
The InChIKey is HFMWPCVAMFNKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39OSi/c1-3-4-5-15-22-16-12-20(13-17-22)19-10-8-18(9-11-19)7-6-14-21-2/h18-20H,3-17H2,1-2H3.
What are the key properties of CID 23374087?
CID 23374087 has a molecular weight of 323.62 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23374087 is sourced from PubChem (CID 23374087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).