carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane

C13H25O3Ti-5 — CID 151835469

IUPACcarbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane
SMILESCO[C-](OC)OC.[CH2-]C1C=CC=C1.[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C6H7.C4H9O3.3CH3.Ti/c1-6-4-2-3-5-6;1-5-4(6-2)7-3;;;;/h2-6H,1H2;1-3H3;3*1H3;/q5*-1;
InChIKeyIROQBTNKWWHVNZ-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.28
Rot. Bonds3

About carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane

carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane (PubChem CID 151835469) has the molecular formula C13H25O3Ti-5 and a molecular weight of 277.21 g/mol. Its IUPAC name is carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane.

Molecular Properties

Compound Namecarbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane
PubChem CID151835469
Molecular FormulaC13H25O3Ti-5
Molecular Weight277.21 g/mol
Exact Mass277.13
IUPAC Namecarbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane
SMILESCO[C-](OC)OC.[CH2-]C1C=CC=C1.[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C6H7.C4H9O3.3CH3.Ti/c1-6-4-2-3-5-6;1-5-4(6-2)7-3;;;;/h2-6H,1H2;1-3H3;3*1H3;/q5*-1;
InChIKeyIROQBTNKWWHVNZ-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane?
The IUPAC name of carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane (CID 151835469) is carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane.
What is the SMILES notation for carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane?
The canonical SMILES for carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane is CO[C-](OC)OC.[CH2-]C1C=CC=C1.[CH3-].[CH3-].[CH3-].[Ti].
What is the InChIKey of carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane?
The InChIKey is IROQBTNKWWHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C4H9O3.3CH3.Ti/c1-6-4-2-3-5-6;1-5-4(6-2)7-3;;;;/h2-6H,1H2;1-3H3;3*1H3;/q5*-1;.
What are the key properties of carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane?
carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane has a molecular weight of 277.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane is sourced from PubChem (CID 151835469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).