bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)

C12H28O2Ti — CID 142734778

IUPACbis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)
SMILESC=[C-]C.CCCCO.CCCCO.[CH3-].[Ti+2]
InChIInChI=1S/2C4H10O.C3H5.CH3.Ti/c2*1-2-3-4-5;1-3-2;;/h2*5H,2-4H2,1H3;1H2,2H3;1H3;/q;;2*-1;+2
InChIKeyQJCZTQYGWHLJDY-UHFFFAOYSA-N
MW252.22 g/mol
LogP3.00
Rot. Bonds4

About bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)

bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+) (PubChem CID 142734778) has the molecular formula C12H28O2Ti and a molecular weight of 252.22 g/mol. Its IUPAC name is bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+).

Molecular Properties

Compound Namebis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)
PubChem CID142734778
Molecular FormulaC12H28O2Ti
Molecular Weight252.22 g/mol
Exact Mass252.16
IUPAC Namebis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)
SMILESC=[C-]C.CCCCO.CCCCO.[CH3-].[Ti+2]
InChIInChI=1S/2C4H10O.C3H5.CH3.Ti/c2*1-2-3-4-5;1-3-2;;/h2*5H,2-4H2,1H3;1H2,2H3;1H3;/q;;2*-1;+2
InChIKeyQJCZTQYGWHLJDY-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 53.00
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

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;ethane-1,2-diol;ethene
CID 87220832
butan-1-ol;ethane;titanium(2+)
CID 172750633
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841

Frequently Asked Questions

What is the IUPAC name of bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)?
The IUPAC name of bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+) (CID 142734778) is bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+).
What is the SMILES notation for bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)?
The canonical SMILES for bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+) is C=[C-]C.CCCCO.CCCCO.[CH3-].[Ti+2].
What is the InChIKey of bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)?
The InChIKey is QJCZTQYGWHLJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.C3H5.CH3.Ti/c2*1-2-3-4-5;1-3-2;;/h2*5H,2-4H2,1H3;1H2,2H3;1H3;/q;;2*-1;+2.
What are the key properties of bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+)?
bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+) has a molecular weight of 252.22 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-ol);carbanide;prop-1-ene;titanium(2+) is sourced from PubChem (CID 142734778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).