2-ethylhexan-1-ol;trichlorotitanium

C8H18Cl3OTi — CID 22251739

IUPAC2-ethylhexan-1-ol;trichlorotitanium
SMILESCCCCC(CC)CO.Cl[Ti](Cl)Cl
InChIInChI=1S/C8H18O.3ClH.Ti/c1-3-5-6-8(4-2)7-9;;;;/h8-9H,3-7H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyBKRBIVQINBXKOS-UHFFFAOYSA-K
MW284.46 g/mol
LogP4.26
Rot. Bonds5

About 2-ethylhexan-1-ol;trichlorotitanium

2-ethylhexan-1-ol;trichlorotitanium (PubChem CID 22251739) has the molecular formula C8H18Cl3OTi and a molecular weight of 284.46 g/mol. Its IUPAC name is 2-ethylhexan-1-ol;trichlorotitanium.

Molecular Properties

Compound Name2-ethylhexan-1-ol;trichlorotitanium
PubChem CID22251739
Molecular FormulaC8H18Cl3OTi
Molecular Weight284.46 g/mol
Exact Mass282.99
IUPAC Name2-ethylhexan-1-ol;trichlorotitanium
SMILESCCCCC(CC)CO.Cl[Ti](Cl)Cl
InChIInChI=1S/C8H18O.3ClH.Ti/c1-3-5-6-8(4-2)7-9;;;;/h8-9H,3-7H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyBKRBIVQINBXKOS-UHFFFAOYSA-K
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-ol;trichlorotitanium?
The IUPAC name of 2-ethylhexan-1-ol;trichlorotitanium (CID 22251739) is 2-ethylhexan-1-ol;trichlorotitanium.
What is the SMILES notation for 2-ethylhexan-1-ol;trichlorotitanium?
The canonical SMILES for 2-ethylhexan-1-ol;trichlorotitanium is CCCCC(CC)CO.Cl[Ti](Cl)Cl.
What is the InChIKey of 2-ethylhexan-1-ol;trichlorotitanium?
The InChIKey is BKRBIVQINBXKOS-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H18O.3ClH.Ti/c1-3-5-6-8(4-2)7-9;;;;/h8-9H,3-7H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-ethylhexan-1-ol;trichlorotitanium?
2-ethylhexan-1-ol;trichlorotitanium has a molecular weight of 284.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-ol;trichlorotitanium is sourced from PubChem (CID 22251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).