bis(cyclopentane);bis(1-phenylethenol);titanium(2+)

C26H36O2Ti+2 — CID 22837019

IUPACbis(cyclopentane);bis(1-phenylethenol);titanium(2+)
SMILESC1CCCC1.C1CCCC1.C=C(O)c1ccccc1.C=C(O)c1ccccc1.[Ti+2]
InChIInChI=1S/2C8H8O.2C5H10.Ti/c2*1-7(9)8-5-3-2-4-6-8;2*1-2-4-5-3-1;/h2*2-6,9H,1H2;2*1-5H2;/q;;;;+2
InChIKeyOXFNWDNMKQDUAJ-UHFFFAOYSA-N
MW428.44 g/mol
LogP8.33
Rot. Bonds2

About bis(cyclopentane);bis(1-phenylethenol);titanium(2+)

bis(cyclopentane);bis(1-phenylethenol);titanium(2+) (PubChem CID 22837019) has the molecular formula C26H36O2Ti+2 and a molecular weight of 428.44 g/mol. Its IUPAC name is bis(cyclopentane);bis(1-phenylethenol);titanium(2+).

Molecular Properties

Compound Namebis(cyclopentane);bis(1-phenylethenol);titanium(2+)
PubChem CID22837019
Molecular FormulaC26H36O2Ti+2
Molecular Weight428.44 g/mol
Exact Mass428.22
IUPAC Namebis(cyclopentane);bis(1-phenylethenol);titanium(2+)
SMILESC1CCCC1.C1CCCC1.C=C(O)c1ccccc1.C=C(O)c1ccccc1.[Ti+2]
InChIInChI=1S/2C8H8O.2C5H10.Ti/c2*1-7(9)8-5-3-2-4-6-8;2*1-2-4-5-3-1;/h2*2-6,9H,1H2;2*1-5H2;/q;;;;+2
InChIKeyOXFNWDNMKQDUAJ-UHFFFAOYSA-N
XLogP8.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)ethenol
CID 89336300
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenacyl
CID 11123355
cyclohexanol;prop-1-en-2-ylbenzene
CID 69052526
1-phenylethenylsulfanylbenzene
CID 3594215
1-[4-(4-fluorophenyl)phenyl]ethenol
CID 143634078
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097
1-bromoethenylbenzene;sulfane
CID 175924538
cyclohexane;formaldehyde;toluene
CID 143236563

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);bis(1-phenylethenol);titanium(2+)?
The IUPAC name of bis(cyclopentane);bis(1-phenylethenol);titanium(2+) (CID 22837019) is bis(cyclopentane);bis(1-phenylethenol);titanium(2+).
What is the SMILES notation for bis(cyclopentane);bis(1-phenylethenol);titanium(2+)?
The canonical SMILES for bis(cyclopentane);bis(1-phenylethenol);titanium(2+) is C1CCCC1.C1CCCC1.C=C(O)c1ccccc1.C=C(O)c1ccccc1.[Ti+2].
What is the InChIKey of bis(cyclopentane);bis(1-phenylethenol);titanium(2+)?
The InChIKey is OXFNWDNMKQDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O.2C5H10.Ti/c2*1-7(9)8-5-3-2-4-6-8;2*1-2-4-5-3-1;/h2*2-6,9H,1H2;2*1-5H2;/q;;;;+2.
What are the key properties of bis(cyclopentane);bis(1-phenylethenol);titanium(2+)?
bis(cyclopentane);bis(1-phenylethenol);titanium(2+) has a molecular weight of 428.44 g/mol, XLogP of 8.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);bis(1-phenylethenol);titanium(2+) is sourced from PubChem (CID 22837019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).