bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)

C18H43N2O2Ti — CID 87119426

IUPACbis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)
SMILESCC(C)(C)[NH-].CC(C)(C)[NH-].CCC(C)O.CCC(C)O.[H][C-]=C.[Ti+3]
InChIInChI=1S/2C4H10N.2C4H10O.C2H3.Ti/c2*1-4(2,3)5;2*1-3-4(2)5;1-2;/h2*5H,1-3H3;2*4-5H,3H2,1-2H3;1H,2H2;/q2*-1;;;-1;+3
InChIKeyQDCSRTRLLOURLQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.83
Rot. Bonds2

About bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)

bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+) (PubChem CID 87119426) has the molecular formula C18H43N2O2Ti and a molecular weight of 367.42 g/mol. Its IUPAC name is bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+).

Molecular Properties

Compound Namebis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)
PubChem CID87119426
Molecular FormulaC18H43N2O2Ti
Molecular Weight367.42 g/mol
Exact Mass367.28
IUPAC Namebis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)
SMILESCC(C)(C)[NH-].CC(C)(C)[NH-].CCC(C)O.CCC(C)O.[H][C-]=C.[Ti+3]
InChIInChI=1S/2C4H10N.2C4H10O.C2H3.Ti/c2*1-4(2,3)5;2*1-3-4(2)5;1-2;/h2*5H,1-3H3;2*4-5H,3H2,1-2H3;1H,2H2;/q2*-1;;;-1;+3
InChIKeyQDCSRTRLLOURLQ-UHFFFAOYSA-N
XLogP5.83
TPSA88.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)?
The IUPAC name of bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+) (CID 87119426) is bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+).
What is the SMILES notation for bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)?
The canonical SMILES for bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+) is CC(C)(C)[NH-].CC(C)(C)[NH-].CCC(C)O.CCC(C)O.[H][C-]=C.[Ti+3].
What is the InChIKey of bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)?
The InChIKey is QDCSRTRLLOURLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N.2C4H10O.C2H3.Ti/c2*1-4(2,3)5;2*1-3-4(2)5;1-2;/h2*5H,1-3H3;2*4-5H,3H2,1-2H3;1H,2H2;/q2*-1;;;-1;+3.
What are the key properties of bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+)?
bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+) has a molecular weight of 367.42 g/mol, XLogP of 5.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-ol);bis(tert-butylazanide);ethene;titanium(3+) is sourced from PubChem (CID 87119426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).