CID 158643717

C31H42Si2 — CID 158643717

IUPAC—
SMILESCCC1=Cc2ccccc2C12CC1(C=C(C[Si](C)(C)C)c3ccccc31)[Si]2(C)CC(C)(C)C
InChIInChI=1S/C31H42Si2/c1-9-25-18-23-14-10-12-16-27(23)31(25)21-30(33(31,8)22-29(2,3)4)19-24(20-32(5,6)7)26-15-11-13-17-28(26)30/h10-19H,9,20-22H2,1-8H3
InChIKeyYVDSAPOEODUHLM-UHFFFAOYSA-N
MW470.85 g/mol
LogP9.01
Rot. Bonds4

About CID 158643717

CID 158643717 (PubChem CID 158643717) has the molecular formula C31H42Si2 and a molecular weight of 470.85 g/mol.

Molecular Properties

Compound NameCID 158643717
PubChem CID158643717
Molecular FormulaC31H42Si2
Molecular Weight470.85 g/mol
Exact Mass470.28
IUPAC Name—
SMILESCCC1=Cc2ccccc2C12CC1(C=C(C[Si](C)(C)C)c3ccccc31)[Si]2(C)CC(C)(C)C
InChIInChI=1S/C31H42Si2/c1-9-25-18-23-14-10-12-16-27(23)31(25)21-30(33(31,8)22-29(2,3)4)19-24(20-32(5,6)7)26-15-11-13-17-28(26)30/h10-19H,9,20-22H2,1-8H3
InChIKeyYVDSAPOEODUHLM-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.85
LogP ≤ 59.01
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 158643717?
The IUPAC name of CID 158643717 (CID 158643717) is not available.
What is the SMILES notation for CID 158643717?
The canonical SMILES for CID 158643717 is CCC1=Cc2ccccc2C12CC1(C=C(C[Si](C)(C)C)c3ccccc31)[Si]2(C)CC(C)(C)C.
What is the InChIKey of CID 158643717?
The InChIKey is YVDSAPOEODUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42Si2/c1-9-25-18-23-14-10-12-16-27(23)31(25)21-30(33(31,8)22-29(2,3)4)19-24(20-32(5,6)7)26-15-11-13-17-28(26)30/h10-19H,9,20-22H2,1-8H3.
What are the key properties of CID 158643717?
CID 158643717 has a molecular weight of 470.85 g/mol, XLogP of 9.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158643717 is sourced from PubChem (CID 158643717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).