CID 140630269

C31H34Si — CID 140630269

IUPAC—
SMILESCC1=C(C)C(Cc2cccc(C)c2C)([Si]c2cc(C)cc(C)c2)C(c2ccccc2)=C1C
InChIInChI=1S/C31H34Si/c1-20-16-21(2)18-29(17-20)32-31(19-28-15-11-12-22(3)23(28)4)26(7)24(5)25(6)30(31)27-13-9-8-10-14-27/h8-18H,19H2,1-7H3
InChIKeySWETWFDMJIXRCN-UHFFFAOYSA-N
MW434.70 g/mol
LogP7.47
Rot. Bonds5

About CID 140630269

CID 140630269 (PubChem CID 140630269) has the molecular formula C31H34Si and a molecular weight of 434.70 g/mol.

Molecular Properties

Compound NameCID 140630269
PubChem CID140630269
Molecular FormulaC31H34Si
Molecular Weight434.70 g/mol
Exact Mass434.24
IUPAC Name—
SMILESCC1=C(C)C(Cc2cccc(C)c2C)([Si]c2cc(C)cc(C)c2)C(c2ccccc2)=C1C
InChIInChI=1S/C31H34Si/c1-20-16-21(2)18-29(17-20)32-31(19-28-15-11-12-22(3)23(28)4)26(7)24(5)25(6)30(31)27-13-9-8-10-14-27/h8-18H,19H2,1-7H3
InChIKeySWETWFDMJIXRCN-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 140630269?
The IUPAC name of CID 140630269 (CID 140630269) is not available.
What is the SMILES notation for CID 140630269?
The canonical SMILES for CID 140630269 is CC1=C(C)C(Cc2cccc(C)c2C)([Si]c2cc(C)cc(C)c2)C(c2ccccc2)=C1C.
What is the InChIKey of CID 140630269?
The InChIKey is SWETWFDMJIXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Si/c1-20-16-21(2)18-29(17-20)32-31(19-28-15-11-12-22(3)23(28)4)26(7)24(5)25(6)30(31)27-13-9-8-10-14-27/h8-18H,19H2,1-7H3.
What are the key properties of CID 140630269?
CID 140630269 has a molecular weight of 434.70 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140630269 is sourced from PubChem (CID 140630269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).