CID 136688256

C34H50Si — CID 136688256

IUPAC—
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Si]c2ccccc2)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C34H50Si/c1-9-31(10-2)23-33(13-5,14-6)28-26(31)22-27-29(30(28)35-25-20-18-17-19-21-25)34(15-7,16-8)24-32(27,11-3)12-4/h17-22H,9-16,23-24H2,1-8H3
InChIKeyXPJRKIDSFAALQF-UHFFFAOYSA-N
MW486.86 g/mol
LogP8.38
Rot. Bonds10

About CID 136688256

CID 136688256 (PubChem CID 136688256) has the molecular formula C34H50Si and a molecular weight of 486.86 g/mol.

Molecular Properties

Compound NameCID 136688256
PubChem CID136688256
Molecular FormulaC34H50Si
Molecular Weight486.86 g/mol
Exact Mass486.37
IUPAC Name—
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Si]c2ccccc2)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C34H50Si/c1-9-31(10-2)23-33(13-5,14-6)28-26(31)22-27-29(30(28)35-25-20-18-17-19-21-25)34(15-7,16-8)24-32(27,11-3)12-4/h17-22H,9-16,23-24H2,1-8H3
InChIKeyXPJRKIDSFAALQF-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.86
LogP ≤ 58.38
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 136688256?
The IUPAC name of CID 136688256 (CID 136688256) is not available.
What is the SMILES notation for CID 136688256?
The canonical SMILES for CID 136688256 is CCC1(CC)CC(CC)(CC)c2c1cc1c(c2[Si]c2ccccc2)C(CC)(CC)CC1(CC)CC.
What is the InChIKey of CID 136688256?
The InChIKey is XPJRKIDSFAALQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50Si/c1-9-31(10-2)23-33(13-5,14-6)28-26(31)22-27-29(30(28)35-25-20-18-17-19-21-25)34(15-7,16-8)24-32(27,11-3)12-4/h17-22H,9-16,23-24H2,1-8H3.
What are the key properties of CID 136688256?
CID 136688256 has a molecular weight of 486.86 g/mol, XLogP of 8.38, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136688256 is sourced from PubChem (CID 136688256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).