carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride

C7H11Cl2OTi — CID 87682441

IUPACcarbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride
SMILESOCC1=CC=CC1.[CH3-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C6H8O.CH3.2ClH.Ti/c7-5-6-3-1-2-4-6;;;;/h1-3,7H,4-5H2;1H3;2*1H;/q;-1;;;+3/p-2
InChIKeyGUXIOFOUUNYSGD-UHFFFAOYSA-L
MW229.94 g/mol
LogP-4.68
Rot. Bonds1

About carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride

carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride (PubChem CID 87682441) has the molecular formula C7H11Cl2OTi and a molecular weight of 229.94 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride
PubChem CID87682441
Molecular FormulaC7H11Cl2OTi
Molecular Weight229.94 g/mol
Exact Mass228.97
IUPAC Namecarbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride
SMILESOCC1=CC=CC1.[CH3-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C6H8O.CH3.2ClH.Ti/c7-5-6-3-1-2-4-6;;;;/h1-3,7H,4-5H2;1H3;2*1H;/q;-1;;;+3/p-2
InChIKeyGUXIOFOUUNYSGD-UHFFFAOYSA-L
XLogP-4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.94
LogP ≤ 5-4.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride?
The IUPAC name of carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride (CID 87682441) is carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride?
The canonical SMILES for carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride is OCC1=CC=CC1.[CH3-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride?
The InChIKey is GUXIOFOUUNYSGD-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O.CH3.2ClH.Ti/c7-5-6-3-1-2-4-6;;;;/h1-3,7H,4-5H2;1H3;2*1H;/q;-1;;;+3/p-2.
What are the key properties of carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride?
carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride has a molecular weight of 229.94 g/mol, XLogP of -4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride is sourced from PubChem (CID 87682441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).