CID 11821741

C15H29OTi+ — CID 11821741

IUPAC—
SMILESCC(C)O.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C10H15.C3H8O.2CH3.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-3(2)4;;;/h1-5H3;3-4H,1-2H3;2*1H3;/q;;2*-1;+3
InChIKeyHBVIBQONBHERJE-UHFFFAOYSA-N
MW273.26 g/mol
LogP4.26
Rot. Bonds

About CID 11821741

CID 11821741 (PubChem CID 11821741) has the molecular formula C15H29OTi+ and a molecular weight of 273.26 g/mol.

Molecular Properties

Compound NameCID 11821741
PubChem CID11821741
Molecular FormulaC15H29OTi+
Molecular Weight273.26 g/mol
Exact Mass273.17
IUPAC Name—
SMILESCC(C)O.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C10H15.C3H8O.2CH3.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-3(2)4;;;/h1-5H3;3-4H,1-2H3;2*1H3;/q;;2*-1;+3
InChIKeyHBVIBQONBHERJE-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 11821741 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11821741?
The IUPAC name of CID 11821741 (CID 11821741) is not available.
What is the SMILES notation for CID 11821741?
The canonical SMILES for CID 11821741 is CC(C)O.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of CID 11821741?
The InChIKey is HBVIBQONBHERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C3H8O.2CH3.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-3(2)4;;;/h1-5H3;3-4H,1-2H3;2*1H3;/q;;2*-1;+3.
What are the key properties of CID 11821741?
CID 11821741 has a molecular weight of 273.26 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11821741 is sourced from PubChem (CID 11821741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).