butane;chlorotitanium(3+)

C12H27ClTi — CID 24940344

IUPACbutane;chlorotitanium(3+)
SMILESCl[Ti+3].[CH2-]CCC.[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/3C4H9.ClH.Ti/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q3*-1;;+4/p-1
InChIKeyASIHAPVRRCYBDC-UHFFFAOYSA-M
MW254.67 g/mol
LogP5.55
Rot. Bonds3

About butane;chlorotitanium(3+)

butane;chlorotitanium(3+) (PubChem CID 24940344) has the molecular formula C12H27ClTi and a molecular weight of 254.67 g/mol. Its IUPAC name is butane;chlorotitanium(3+).

Molecular Properties

Compound Namebutane;chlorotitanium(3+)
PubChem CID24940344
Molecular FormulaC12H27ClTi
Molecular Weight254.67 g/mol
Exact Mass254.13
IUPAC Namebutane;chlorotitanium(3+)
SMILESCl[Ti+3].[CH2-]CCC.[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/3C4H9.ClH.Ti/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q3*-1;;+4/p-1
InChIKeyASIHAPVRRCYBDC-UHFFFAOYSA-M
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.67
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

beryllium;butane;bromide
CID 88723296
butane;chlorotitanium(1+)
CID 141052543
butane;nickel
CID 57419181
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CID 85439871
butane;terbium(3+)
CID 21057379
butane;lithium(1-)
CID 154172744
butane;tris(rubidium(1+))
CID 59203345
butane;dichlorotitanium
CID 12072857
lithium;butane;formaldehyde
CID 174599553
magnesium;butane;chloride
CID 6101660
butane;rhodium(3+);hydrochloride
CID 87753189
potassium;butane;trihydrofluoride
CID 175562651

Frequently Asked Questions

What is the IUPAC name of butane;chlorotitanium(3+)?
The IUPAC name of butane;chlorotitanium(3+) (CID 24940344) is butane;chlorotitanium(3+).
What is the SMILES notation for butane;chlorotitanium(3+)?
The canonical SMILES for butane;chlorotitanium(3+) is Cl[Ti+3].[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.
What is the InChIKey of butane;chlorotitanium(3+)?
The InChIKey is ASIHAPVRRCYBDC-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.ClH.Ti/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q3*-1;;+4/p-1.
What are the key properties of butane;chlorotitanium(3+)?
butane;chlorotitanium(3+) has a molecular weight of 254.67 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;chlorotitanium(3+) is sourced from PubChem (CID 24940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).