CID 173384039

C23H27Cl3SiTi — CID 173384039

IUPAC—
SMILESCCCCCC1C(C)=[C-]c2c([Si]c3cc(C)cc(C)c3)cccc21.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H27Si.3ClH.Ti/c1-5-6-7-9-20-18(4)15-22-21(20)10-8-11-23(22)24-19-13-16(2)12-17(3)14-19;;;;/h8,10-14,20H,5-7,9H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyISKKHGYHZJUETM-UHFFFAOYSA-K
MW485.78 g/mol
LogP-4.26
Rot. Bonds6

About CID 173384039

CID 173384039 (PubChem CID 173384039) has the molecular formula C23H27Cl3SiTi and a molecular weight of 485.78 g/mol.

Molecular Properties

Compound NameCID 173384039
PubChem CID173384039
Molecular FormulaC23H27Cl3SiTi
Molecular Weight485.78 g/mol
Exact Mass484.04
IUPAC Name—
SMILESCCCCCC1C(C)=[C-]c2c([Si]c3cc(C)cc(C)c3)cccc21.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H27Si.3ClH.Ti/c1-5-6-7-9-20-18(4)15-22-21(20)10-8-11-23(22)24-19-13-16(2)12-17(3)14-19;;;;/h8,10-14,20H,5-7,9H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyISKKHGYHZJUETM-UHFFFAOYSA-K
XLogP-4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.78
LogP ≤ 5-4.26
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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Frequently Asked Questions

What is the IUPAC name of CID 173384039?
The IUPAC name of CID 173384039 (CID 173384039) is not available.
What is the SMILES notation for CID 173384039?
The canonical SMILES for CID 173384039 is CCCCCC1C(C)=[C-]c2c([Si]c3cc(C)cc(C)c3)cccc21.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173384039?
The InChIKey is ISKKHGYHZJUETM-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H27Si.3ClH.Ti/c1-5-6-7-9-20-18(4)15-22-21(20)10-8-11-23(22)24-19-13-16(2)12-17(3)14-19;;;;/h8,10-14,20H,5-7,9H2,1-4H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of CID 173384039?
CID 173384039 has a molecular weight of 485.78 g/mol, XLogP of -4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173384039 is sourced from PubChem (CID 173384039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).