bis(prop-1-ene);titanium(2+);hydrochloride

C6H11ClTi — CID 174941469

IUPACbis(prop-1-ene);titanium(2+);hydrochloride
SMILESC=C[CH2-].C=C[CH2-].Cl.[Ti+2]
InChIInChI=1S/2C3H5.ClH.Ti/c2*1-3-2;;/h2*3H,1-2H2;1H;/q2*-1;;+2
InChIKeyHXULANMJVKPJDO-UHFFFAOYSA-N
MW166.47 g/mol
LogP2.43
Rot. Bonds

About bis(prop-1-ene);titanium(2+);hydrochloride

bis(prop-1-ene);titanium(2+);hydrochloride (PubChem CID 174941469) has the molecular formula C6H11ClTi and a molecular weight of 166.47 g/mol. Its IUPAC name is bis(prop-1-ene);titanium(2+);hydrochloride.

Molecular Properties

Compound Namebis(prop-1-ene);titanium(2+);hydrochloride
PubChem CID174941469
Molecular FormulaC6H11ClTi
Molecular Weight166.47 g/mol
Exact Mass166.00
IUPAC Namebis(prop-1-ene);titanium(2+);hydrochloride
SMILESC=C[CH2-].C=C[CH2-].Cl.[Ti+2]
InChIInChI=1S/2C3H5.ClH.Ti/c2*1-3-2;;/h2*3H,1-2H2;1H;/q2*-1;;+2
InChIKeyHXULANMJVKPJDO-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.47
LogP ≤ 52.43
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

prop-1-ene;titanium(2+)
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neodymium(3+);prop-1-ene
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prop-1-ene;titanium(3+)
CID 175904617
tris(prop-1-ene);titanium(4+);chloride
CID 173363750
CID 139263487
CID 139263487
lithium;copper;prop-1-ene
CID 173194111
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CID 59816484
CID 173236591
CID 173236591
methane;palladium;prop-1-ene
CID 175123096
prop-1-ene;titanium(4+);tribromide
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Frequently Asked Questions

What is the IUPAC name of bis(prop-1-ene);titanium(2+);hydrochloride?
The IUPAC name of bis(prop-1-ene);titanium(2+);hydrochloride (CID 174941469) is bis(prop-1-ene);titanium(2+);hydrochloride.
What is the SMILES notation for bis(prop-1-ene);titanium(2+);hydrochloride?
The canonical SMILES for bis(prop-1-ene);titanium(2+);hydrochloride is C=C[CH2-].C=C[CH2-].Cl.[Ti+2].
What is the InChIKey of bis(prop-1-ene);titanium(2+);hydrochloride?
The InChIKey is HXULANMJVKPJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5.ClH.Ti/c2*1-3-2;;/h2*3H,1-2H2;1H;/q2*-1;;+2.
What are the key properties of bis(prop-1-ene);titanium(2+);hydrochloride?
bis(prop-1-ene);titanium(2+);hydrochloride has a molecular weight of 166.47 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-ene);titanium(2+);hydrochloride is sourced from PubChem (CID 174941469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).