CID 140588742

C22H26Si — CID 140588742

IUPAC—
SMILESCCCCCC1C=C([Si]c2cc(C)cc(C)c2)c2ccccc21
InChIInChI=1S/C22H26Si/c1-4-5-6-9-18-15-22(21-11-8-7-10-20(18)21)23-19-13-16(2)12-17(3)14-19/h7-8,10-15,18H,4-6,9H2,1-3H3
InChIKeyGADTUWXXZIKLIA-UHFFFAOYSA-N
MW318.54 g/mol
LogP5.35
Rot. Bonds6

About CID 140588742

CID 140588742 (PubChem CID 140588742) has the molecular formula C22H26Si and a molecular weight of 318.54 g/mol.

Molecular Properties

Compound NameCID 140588742
PubChem CID140588742
Molecular FormulaC22H26Si
Molecular Weight318.54 g/mol
Exact Mass318.18
IUPAC Name—
SMILESCCCCCC1C=C([Si]c2cc(C)cc(C)c2)c2ccccc21
InChIInChI=1S/C22H26Si/c1-4-5-6-9-18-15-22(21-11-8-7-10-20(18)21)23-19-13-16(2)12-17(3)14-19/h7-8,10-15,18H,4-6,9H2,1-3H3
InChIKeyGADTUWXXZIKLIA-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 140588742 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-didodecyl-1H-indene
CID 177256728
CID 173463796
CID 173463796
CID 173384039
CID 173384039
9-nonyl-9H-fluorene
CID 22568532
CID 140588184
CID 140588184
butyl-(3,5-dimethylphenyl)-(9H-fluoren-9-yl)-methylsilane
CID 88850697
CID 162143943
CID 162143943
lithium 9-ethyl-9H-fluorene
CID 23225742
2,7-bis[6-(9H-fluoren-9-yl)hexoxy]-3,6,10,11-tetrapentoxytriphenylene
CID 101153566
4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
CID 141438474
3-octyl-3H-2-benzothiophen-1-one
CID 56970905
1-butyl-1H-indene;zirconium
CID 175289141

Frequently Asked Questions

What is the IUPAC name of CID 140588742?
The IUPAC name of CID 140588742 (CID 140588742) is not available.
What is the SMILES notation for CID 140588742?
The canonical SMILES for CID 140588742 is CCCCCC1C=C([Si]c2cc(C)cc(C)c2)c2ccccc21.
What is the InChIKey of CID 140588742?
The InChIKey is GADTUWXXZIKLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Si/c1-4-5-6-9-18-15-22(21-11-8-7-10-20(18)21)23-19-13-16(2)12-17(3)14-19/h7-8,10-15,18H,4-6,9H2,1-3H3.
What are the key properties of CID 140588742?
CID 140588742 has a molecular weight of 318.54 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140588742 is sourced from PubChem (CID 140588742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).