butan-1-ol;ethane;titanium(2+)

C8H20OTi — CID 172750633

IUPACbutan-1-ol;ethane;titanium(2+)
SMILESCCCCO.[CH2-]C.[CH2-]C.[Ti+2]
InChIInChI=1S/C4H10O.2C2H5.Ti/c1-2-3-4-5;2*1-2;/h5H,2-4H2,1H3;2*1H2,2H3;/q;2*-1;+2
InChIKeyATPSPMIJNBPQDC-UHFFFAOYSA-N
MW180.11 g/mol
LogP2.46
Rot. Bonds2

About butan-1-ol;ethane;titanium(2+)

butan-1-ol;ethane;titanium(2+) (PubChem CID 172750633) has the molecular formula C8H20OTi and a molecular weight of 180.11 g/mol. Its IUPAC name is butan-1-ol;ethane;titanium(2+).

Molecular Properties

Compound Namebutan-1-ol;ethane;titanium(2+)
PubChem CID172750633
Molecular FormulaC8H20OTi
Molecular Weight180.11 g/mol
Exact Mass180.10
IUPAC Namebutan-1-ol;ethane;titanium(2+)
SMILESCCCCO.[CH2-]C.[CH2-]C.[Ti+2]
InChIInChI=1S/C4H10O.2C2H5.Ti/c1-2-3-4-5;2*1-2;/h5H,2-4H2,1H3;2*1H2,2H3;/q;2*-1;+2
InChIKeyATPSPMIJNBPQDC-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71309697
sodium butan-1-ol
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butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
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
pentakis(butan-1-ol);vanadium
CID 14228635
tris(butan-1-ol);propane;titanium
CID 150243103

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethane;titanium(2+)?
The IUPAC name of butan-1-ol;ethane;titanium(2+) (CID 172750633) is butan-1-ol;ethane;titanium(2+).
What is the SMILES notation for butan-1-ol;ethane;titanium(2+)?
The canonical SMILES for butan-1-ol;ethane;titanium(2+) is CCCCO.[CH2-]C.[CH2-]C.[Ti+2].
What is the InChIKey of butan-1-ol;ethane;titanium(2+)?
The InChIKey is ATPSPMIJNBPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2C2H5.Ti/c1-2-3-4-5;2*1-2;/h5H,2-4H2,1H3;2*1H2,2H3;/q;2*-1;+2.
What are the key properties of butan-1-ol;ethane;titanium(2+)?
butan-1-ol;ethane;titanium(2+) has a molecular weight of 180.11 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethane;titanium(2+) is sourced from PubChem (CID 172750633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).