CID 160643326

C25H41Cl3SiTi-2 — CID 160643326

IUPAC—
SMILESCCCCc1ccc[cH-]1.Cc1c(C)c(C)c([SiH2])c(C)c1C.[CH2-]CCCC.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H17Si.C9H13.C5H11.3ClH.Ti/c1-6-7(2)9(4)11(12)10(5)8(6)3;1-2-3-6-9-7-4-5-8-9;1-3-5-4-2;;;;/h12H2,1-5H3;4-5,7-8H,2-3,6H2,1H3;1,3-5H2,2H3;3*1H;/q;2*-1;;;;+3/p-3
InChIKeyVJBWBQVQTPZUSD-UHFFFAOYSA-K
MW523.92 g/mol
LogP-2.74
Rot. Bonds5

About CID 160643326

CID 160643326 (PubChem CID 160643326) has the molecular formula C25H41Cl3SiTi-2 and a molecular weight of 523.92 g/mol.

Molecular Properties

Compound NameCID 160643326
PubChem CID160643326
Molecular FormulaC25H41Cl3SiTi-2
Molecular Weight523.92 g/mol
Exact Mass522.15
IUPAC Name—
SMILESCCCCc1ccc[cH-]1.Cc1c(C)c(C)c([SiH2])c(C)c1C.[CH2-]CCCC.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H17Si.C9H13.C5H11.3ClH.Ti/c1-6-7(2)9(4)11(12)10(5)8(6)3;1-2-3-6-9-7-4-5-8-9;1-3-5-4-2;;;;/h12H2,1-5H3;4-5,7-8H,2-3,6H2,1H3;1,3-5H2,2H3;3*1H;/q;2*-1;;;;+3/p-3
InChIKeyVJBWBQVQTPZUSD-UHFFFAOYSA-K
XLogP-2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.92
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562
bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
CID 159836461
bis(3-cyclopenta-1,3-dien-1-ylpropyl(diphenyl)phosphane);iron(2+)
CID 159314946
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium
CID 155656379
palladium(2+);pentane;chloride
CID 88629932
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutane-1-thiol;iron(2+)
CID 158425744
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131

Frequently Asked Questions

What is the IUPAC name of CID 160643326?
The IUPAC name of CID 160643326 (CID 160643326) is not available.
What is the SMILES notation for CID 160643326?
The canonical SMILES for CID 160643326 is CCCCc1ccc[cH-]1.Cc1c(C)c(C)c([SiH2])c(C)c1C.[CH2-]CCCC.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of CID 160643326?
The InChIKey is VJBWBQVQTPZUSD-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H17Si.C9H13.C5H11.3ClH.Ti/c1-6-7(2)9(4)11(12)10(5)8(6)3;1-2-3-6-9-7-4-5-8-9;1-3-5-4-2;;;;/h12H2,1-5H3;4-5,7-8H,2-3,6H2,1H3;1,3-5H2,2H3;3*1H;/q;2*-1;;;;+3/p-3.
What are the key properties of CID 160643326?
CID 160643326 has a molecular weight of 523.92 g/mol, XLogP of -2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160643326 is sourced from PubChem (CID 160643326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).