CID 140788802

C19H21OSi — CID 140788802

IUPAC—
SMILESCC(O)(c1ccc2cc([Si])ccc2c1)C1CC2CCC1C2
InChIInChI=1S/C19H21OSi/c1-19(20,18-9-12-2-3-15(18)8-12)16-6-4-14-11-17(21)7-5-13(14)10-16/h4-7,10-12,15,18,20H,2-3,8-9H2,1H3
InChIKeyWJHHPOVBTAGWCQ-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.28
Rot. Bonds2

About CID 140788802

CID 140788802 (PubChem CID 140788802) has the molecular formula C19H21OSi and a molecular weight of 293.46 g/mol.

Molecular Properties

Compound NameCID 140788802
PubChem CID140788802
Molecular FormulaC19H21OSi
Molecular Weight293.46 g/mol
Exact Mass293.14
IUPAC Name—
SMILESCC(O)(c1ccc2cc([Si])ccc2c1)C1CC2CCC1C2
InChIInChI=1S/C19H21OSi/c1-19(20,18-9-12-2-3-15(18)8-12)16-6-4-14-11-17(21)7-5-13(14)10-16/h4-7,10-12,15,18,20H,2-3,8-9H2,1H3
InChIKeyWJHHPOVBTAGWCQ-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 140788802?
The IUPAC name of CID 140788802 (CID 140788802) is not available.
What is the SMILES notation for CID 140788802?
The canonical SMILES for CID 140788802 is CC(O)(c1ccc2cc([Si])ccc2c1)C1CC2CCC1C2.
What is the InChIKey of CID 140788802?
The InChIKey is WJHHPOVBTAGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21OSi/c1-19(20,18-9-12-2-3-15(18)8-12)16-6-4-14-11-17(21)7-5-13(14)10-16/h4-7,10-12,15,18,20H,2-3,8-9H2,1H3.
What are the key properties of CID 140788802?
CID 140788802 has a molecular weight of 293.46 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140788802 is sourced from PubChem (CID 140788802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).