bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)

C20H34O2Ti — CID 174299170

IUPACbis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
SMILESCCCCCO.CCCCCO.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H12O.2C5H5.Ti/c2*1-2-3-4-5-6;2*1-2-4-5-3-1;/h2*6H,2-5H2,1H3;2*1-5H;/q;;2*-1;+2
InChIKeyOZXYIPILPOGWTH-UHFFFAOYSA-N
MW354.36 g/mol
LogP5.15
Rot. Bonds6

About bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)

bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+) (PubChem CID 174299170) has the molecular formula C20H34O2Ti and a molecular weight of 354.36 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
PubChem CID174299170
Molecular FormulaC20H34O2Ti
Molecular Weight354.36 g/mol
Exact Mass354.20
IUPAC Namebis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
SMILESCCCCCO.CCCCCO.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H12O.2C5H5.Ti/c2*1-2-3-4-5-6;2*1-2-4-5-3-1;/h2*6H,2-5H2,1H3;2*1-5H;/q;;2*-1;+2
InChIKeyOZXYIPILPOGWTH-UHFFFAOYSA-N
XLogP5.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride
CID 160517150
cyclopenta-1,3-diene;ethanol;titanium
CID 23263646
heptan-1-ol;nonan-1-ol
CID 160785033
pentan-1-ol;yttrium
CID 154312100
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
nickel;pentan-1-ol
CID 157287705

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+) (CID 174299170) is bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+) is CCCCCO.CCCCCO.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)?
The InChIKey is OZXYIPILPOGWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O.2C5H5.Ti/c2*1-2-3-4-5-6;2*1-2-4-5-3-1;/h2*6H,2-5H2,1H3;2*1-5H;/q;;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)?
bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+) has a molecular weight of 354.36 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+) is sourced from PubChem (CID 174299170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).