CID 21461800

C16H18Si3 — CID 21461800

IUPAC—
SMILESc1ccc(CC[Si][Si][Si]CCc2ccccc2)cc1
InChIInChI=1S/C16H18Si3/c1-3-7-15(8-4-1)11-13-17-19-18-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyDHLDPFQNCRWCCB-UHFFFAOYSA-N
MW294.58 g/mol
LogP3.25
Rot. Bonds8

About CID 21461800

CID 21461800 (PubChem CID 21461800) has the molecular formula C16H18Si3 and a molecular weight of 294.58 g/mol.

Molecular Properties

Compound NameCID 21461800
PubChem CID21461800
Molecular FormulaC16H18Si3
Molecular Weight294.58 g/mol
Exact Mass294.07
IUPAC Name—
SMILESc1ccc(CC[Si][Si][Si]CCc2ccccc2)cc1
InChIInChI=1S/C16H18Si3/c1-3-7-15(8-4-1)11-13-17-19-18-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyDHLDPFQNCRWCCB-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 53.25
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 21461800?
The IUPAC name of CID 21461800 (CID 21461800) is not available.
What is the SMILES notation for CID 21461800?
The canonical SMILES for CID 21461800 is c1ccc(CC[Si][Si][Si]CCc2ccccc2)cc1.
What is the InChIKey of CID 21461800?
The InChIKey is DHLDPFQNCRWCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Si3/c1-3-7-15(8-4-1)11-13-17-19-18-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of CID 21461800?
CID 21461800 has a molecular weight of 294.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21461800 is sourced from PubChem (CID 21461800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).