bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)

C11H13ClOTi — CID 87327815

IUPACbis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)
SMILESCOCl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/2C5H5.CH3ClO.Ti/c2*1-2-4-5-3-1;1-3-2;/h2*1-3H,4H2;1H3;/q2*-1;;+2
InChIKeyVINHQUCSRLLWBT-UHFFFAOYSA-N
MW244.54 g/mol
LogP3.40
Rot. Bonds

About bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)

bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+) (PubChem CID 87327815) has the molecular formula C11H13ClOTi and a molecular weight of 244.54 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)
PubChem CID87327815
Molecular FormulaC11H13ClOTi
Molecular Weight244.54 g/mol
Exact Mass244.01
IUPAC Namebis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)
SMILESCOCl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/2C5H5.CH3ClO.Ti/c2*1-2-4-5-3-1;1-3-2;/h2*1-3H,4H2;1H3;/q2*-1;;+2
InChIKeyVINHQUCSRLLWBT-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)
CID 18368685
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);iron(2+);methanol
CID 175123773
chloromethane;cyclopenta-1,3-diene;tungsten(2+)
CID 175390144
bis(cyclopenta-1,3-diene);dichlorotungsten
CID 76518723
bis(cyclopenta-1,3-diene);zirconium(4+);difluoride
CID 23354655

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+) (CID 87327815) is bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+) is COCl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Ti+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)?
The InChIKey is VINHQUCSRLLWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CH3ClO.Ti/c2*1-2-4-5-3-1;1-3-2;/h2*1-3H,4H2;1H3;/q2*-1;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)?
bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+) has a molecular weight of 244.54 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+) is sourced from PubChem (CID 87327815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).