CID 173474909

C30H53Cl3SiTi- — CID 173474909

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC[Si](C)c1ccccc1.Cl.Cl.Cl.[C-]1=CC=CC1.[Ti]
InChIInChI=1S/C25H45Si.C5H5.3ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(2)25-22-19-18-20-23-25;1-2-4-5-3-1;;;;/h18-20,22-23H,3-17,21,24H2,1-2H3;1-3H,4H2;3*1H;/q;-1;;;;
InChIKeyLHMDKSIBUOPIET-UHFFFAOYSA-N
MW596.07 g/mol
LogP10.85
Rot. Bonds18

About CID 173474909

CID 173474909 (PubChem CID 173474909) has the molecular formula C30H53Cl3SiTi- and a molecular weight of 596.07 g/mol.

Molecular Properties

Compound NameCID 173474909
PubChem CID173474909
Molecular FormulaC30H53Cl3SiTi-
Molecular Weight596.07 g/mol
Exact Mass594.25
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC[Si](C)c1ccccc1.Cl.Cl.Cl.[C-]1=CC=CC1.[Ti]
InChIInChI=1S/C25H45Si.C5H5.3ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(2)25-22-19-18-20-23-25;1-2-4-5-3-1;;;;/h18-20,22-23H,3-17,21,24H2,1-2H3;1-3H,4H2;3*1H;/q;-1;;;;
InChIKeyLHMDKSIBUOPIET-UHFFFAOYSA-N
XLogP10.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.07
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173474909?
The IUPAC name of CID 173474909 (CID 173474909) is not available.
What is the SMILES notation for CID 173474909?
The canonical SMILES for CID 173474909 is CCCCCCCCCCCCCCCCCC[Si](C)c1ccccc1.Cl.Cl.Cl.[C-]1=CC=CC1.[Ti].
What is the InChIKey of CID 173474909?
The InChIKey is LHMDKSIBUOPIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45Si.C5H5.3ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(2)25-22-19-18-20-23-25;1-2-4-5-3-1;;;;/h18-20,22-23H,3-17,21,24H2,1-2H3;1-3H,4H2;3*1H;/q;-1;;;;.
What are the key properties of CID 173474909?
CID 173474909 has a molecular weight of 596.07 g/mol, XLogP of 10.85, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173474909 is sourced from PubChem (CID 173474909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).