CID 173463796

C26H27Cl3SiTi — CID 173463796

IUPAC—
SMILESCCCCCC1c2[c-]c([Si]c3cc(C)cc(C)c3)ccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C26H27Si.3ClH.Ti/c1-4-5-6-9-24-22-10-7-8-11-23(22)25-13-12-20(17-26(24)25)27-21-15-18(2)14-19(3)16-21;;;;/h7-8,10-16,24H,4-6,9H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCTRRVDQFPJWKFQ-UHFFFAOYSA-K
MW521.81 g/mol
LogP-3.54
Rot. Bonds6

About CID 173463796

CID 173463796 (PubChem CID 173463796) has the molecular formula C26H27Cl3SiTi and a molecular weight of 521.81 g/mol.

Molecular Properties

Compound NameCID 173463796
PubChem CID173463796
Molecular FormulaC26H27Cl3SiTi
Molecular Weight521.81 g/mol
Exact Mass520.04
IUPAC Name—
SMILESCCCCCC1c2[c-]c([Si]c3cc(C)cc(C)c3)ccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C26H27Si.3ClH.Ti/c1-4-5-6-9-24-22-10-7-8-11-23(22)25-13-12-20(17-26(24)25)27-21-15-18(2)14-19(3)16-21;;;;/h7-8,10-16,24H,4-6,9H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCTRRVDQFPJWKFQ-UHFFFAOYSA-K
XLogP-3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.81
LogP ≤ 5-3.54
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 173463796?
The IUPAC name of CID 173463796 (CID 173463796) is not available.
What is the SMILES notation for CID 173463796?
The canonical SMILES for CID 173463796 is CCCCCC1c2[c-]c([Si]c3cc(C)cc(C)c3)ccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173463796?
The InChIKey is CTRRVDQFPJWKFQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H27Si.3ClH.Ti/c1-4-5-6-9-24-22-10-7-8-11-23(22)25-13-12-20(17-26(24)25)27-21-15-18(2)14-19(3)16-21;;;;/h7-8,10-16,24H,4-6,9H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of CID 173463796?
CID 173463796 has a molecular weight of 521.81 g/mol, XLogP of -3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173463796 is sourced from PubChem (CID 173463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).