CID 19039132

C22H34ClOSi — CID 19039132

IUPAC—
SMILESCCC[Si]1CCC(C2CCC(COc3ccc(Cl)c(C)c3)CC2)CC1
InChIInChI=1S/C22H34ClOSi/c1-3-12-25-13-10-20(11-14-25)19-6-4-18(5-7-19)16-24-21-8-9-22(23)17(2)15-21/h8-9,15,18-20H,3-7,10-14,16H2,1-2H3
InChIKeyXSWYRIUHAAXPRU-UHFFFAOYSA-N
MW378.05 g/mol
LogP7.15
Rot. Bonds6

About CID 19039132

CID 19039132 (PubChem CID 19039132) has the molecular formula C22H34ClOSi and a molecular weight of 378.05 g/mol.

Molecular Properties

Compound NameCID 19039132
PubChem CID19039132
Molecular FormulaC22H34ClOSi
Molecular Weight378.05 g/mol
Exact Mass377.21
IUPAC Name—
SMILESCCC[Si]1CCC(C2CCC(COc3ccc(Cl)c(C)c3)CC2)CC1
InChIInChI=1S/C22H34ClOSi/c1-3-12-25-13-10-20(11-14-25)19-6-4-18(5-7-19)16-24-21-8-9-22(23)17(2)15-21/h8-9,15,18-20H,3-7,10-14,16H2,1-2H3
InChIKeyXSWYRIUHAAXPRU-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.05
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19039132?
The IUPAC name of CID 19039132 (CID 19039132) is not available.
What is the SMILES notation for CID 19039132?
The canonical SMILES for CID 19039132 is CCC[Si]1CCC(C2CCC(COc3ccc(Cl)c(C)c3)CC2)CC1.
What is the InChIKey of CID 19039132?
The InChIKey is XSWYRIUHAAXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClOSi/c1-3-12-25-13-10-20(11-14-25)19-6-4-18(5-7-19)16-24-21-8-9-22(23)17(2)15-21/h8-9,15,18-20H,3-7,10-14,16H2,1-2H3.
What are the key properties of CID 19039132?
CID 19039132 has a molecular weight of 378.05 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19039132 is sourced from PubChem (CID 19039132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).