CID 151205181

C31H46NSiTi — CID 151205181

IUPAC—
SMILESCCCCCCCCCC[NH-].Cc1c[c-](C)c(C)c1C.[Ti+2].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C10H22N.C9H13.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-11;1-6-5-7(2)9(4)8(6)3;/h1-10,13H;11H,2-10H2,1H3;5H,1-4H3;/q;2*-1;+2
InChIKeyXTDTYWMGJKGMIM-UHFFFAOYSA-N
MW508.67 g/mol
LogP7.89
Rot. Bonds10

About CID 151205181

CID 151205181 (PubChem CID 151205181) has the molecular formula C31H46NSiTi and a molecular weight of 508.67 g/mol.

Molecular Properties

Compound NameCID 151205181
PubChem CID151205181
Molecular FormulaC31H46NSiTi
Molecular Weight508.67 g/mol
Exact Mass508.29
IUPAC Name—
SMILESCCCCCCCCCC[NH-].Cc1c[c-](C)c(C)c1C.[Ti+2].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C10H22N.C9H13.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-11;1-6-5-7(2)9(4)8(6)3;/h1-10,13H;11H,2-10H2,1H3;5H,1-4H3;/q;2*-1;+2
InChIKeyXTDTYWMGJKGMIM-UHFFFAOYSA-N
XLogP7.89
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 57.89
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 151205181?
The IUPAC name of CID 151205181 (CID 151205181) is not available.
What is the SMILES notation for CID 151205181?
The canonical SMILES for CID 151205181 is CCCCCCCCCC[NH-].Cc1c[c-](C)c(C)c1C.[Ti+2].c1ccc([SiH]c2ccccc2)cc1.
What is the InChIKey of CID 151205181?
The InChIKey is XTDTYWMGJKGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Si.C10H22N.C9H13.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-11;1-6-5-7(2)9(4)8(6)3;/h1-10,13H;11H,2-10H2,1H3;5H,1-4H3;/q;2*-1;+2.
What are the key properties of CID 151205181?
CID 151205181 has a molecular weight of 508.67 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151205181 is sourced from PubChem (CID 151205181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).