CID 174760104

C29H36Si — CID 174760104

IUPAC—
SMILESCCCCCCCCCC[Si]c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H26Si.C13H10/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h9-11,13-14H,2-8,12,15H2,1H3;1-8H,9H2
InChIKeyHLXZQHFMJGFLDK-UHFFFAOYSA-N
MW412.69 g/mol
LogP7.83
Rot. Bonds10

About CID 174760104

CID 174760104 (PubChem CID 174760104) has the molecular formula C29H36Si and a molecular weight of 412.69 g/mol.

Molecular Properties

Compound NameCID 174760104
PubChem CID174760104
Molecular FormulaC29H36Si
Molecular Weight412.69 g/mol
Exact Mass412.26
IUPAC Name—
SMILESCCCCCCCCCC[Si]c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H26Si.C13H10/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h9-11,13-14H,2-8,12,15H2,1H3;1-8H,9H2
InChIKeyHLXZQHFMJGFLDK-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 57.83
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 174760104?
The IUPAC name of CID 174760104 (CID 174760104) is not available.
What is the SMILES notation for CID 174760104?
The canonical SMILES for CID 174760104 is CCCCCCCCCC[Si]c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of CID 174760104?
The InChIKey is HLXZQHFMJGFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Si.C13H10/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h9-11,13-14H,2-8,12,15H2,1H3;1-8H,9H2.
What are the key properties of CID 174760104?
CID 174760104 has a molecular weight of 412.69 g/mol, XLogP of 7.83, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174760104 is sourced from PubChem (CID 174760104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).