CID 87865428

C16H27Cl2NSiTi-4 — CID 87865428

IUPAC—
SMILESCC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH3-].[CH3-].[Si]=[Ti]
InChIInChI=1S/C10H9.C4H10N.2CH3.2ClH.Si.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-4(2,3)5;;;;;;/h2-7H,1H3;5H,1-3H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyKMDPCPVVBYNOEE-UHFFFAOYSA-N
MW380.26 g/mol
LogP6.07
Rot. Bonds

About CID 87865428

CID 87865428 (PubChem CID 87865428) has the molecular formula C16H27Cl2NSiTi-4 and a molecular weight of 380.26 g/mol.

Molecular Properties

Compound NameCID 87865428
PubChem CID87865428
Molecular FormulaC16H27Cl2NSiTi-4
Molecular Weight380.26 g/mol
Exact Mass379.08
IUPAC Name—
SMILESCC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH3-].[CH3-].[Si]=[Ti]
InChIInChI=1S/C10H9.C4H10N.2CH3.2ClH.Si.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-4(2,3)5;;;;;;/h2-7H,1H3;5H,1-3H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyKMDPCPVVBYNOEE-UHFFFAOYSA-N
XLogP6.07
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 56.07
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

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2-(9H-fluoren-9-yl)propan-2-amine
CID 547502
1-Methylinden-1-ide;trichlorotitanium(1+)
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2,3-dimethyl-1H-inden-1-ide;titanium(4+);trichloride
CID 17798917
3-methyl-1H-inden-1-ide;titanium(4+);trichloride
CID 17798921
7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine
CID 21440795
ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride
CID 23450531
ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride
CID 23450537
6-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-6-phenylhex-4-en-3-amine
CID 68122963
CID 87064824
CID 87064824

Frequently Asked Questions

What is the IUPAC name of CID 87865428?
The IUPAC name of CID 87865428 (CID 87865428) is not available.
What is the SMILES notation for CID 87865428?
The canonical SMILES for CID 87865428 is CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH3-].[CH3-].[Si]=[Ti].
What is the InChIKey of CID 87865428?
The InChIKey is KMDPCPVVBYNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.C4H10N.2CH3.2ClH.Si.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-4(2,3)5;;;;;;/h2-7H,1H3;5H,1-3H3;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87865428?
CID 87865428 has a molecular weight of 380.26 g/mol, XLogP of 6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87865428 is sourced from PubChem (CID 87865428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).