1,2-dichloropropane;titanium

C3H6Cl2Ti — CID 88762967

IUPAC1,2-dichloropropane;titanium
SMILESCC(Cl)CCl.[Ti]
InChIInChI=1S/C3H6Cl2.Ti/c1-3(5)2-4;/h3H,2H2,1H3;
InChIKeyXRUKFCGPIMGBOD-UHFFFAOYSA-N
MW160.85 g/mol
LogP1.85
Rot. Bonds1

About 1,2-dichloropropane;titanium

1,2-dichloropropane;titanium (PubChem CID 88762967) has the molecular formula C3H6Cl2Ti and a molecular weight of 160.85 g/mol. Its IUPAC name is 1,2-dichloropropane;titanium.

Molecular Properties

Compound Name1,2-dichloropropane;titanium
PubChem CID88762967
Molecular FormulaC3H6Cl2Ti
Molecular Weight160.85 g/mol
Exact Mass159.93
IUPAC Name1,2-dichloropropane;titanium
SMILESCC(Cl)CCl.[Ti]
InChIInChI=1S/C3H6Cl2.Ti/c1-3(5)2-4;/h3H,2H2,1H3;
InChIKeyXRUKFCGPIMGBOD-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.85
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloropropane;1-iodo-2-methylpropane
CID 88842909
1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
CID 18186137
1,1,3-trichloro-2-methylpropane
CID 23268512
1,3-dichloro-2-(chloromethyl)butane
CID 87685520
(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
CID 6931072
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1-chloro-2-methylpropane;methanol
CID 88619830
2-bromo-1-chloropropane
CID 18175
1-bromo-2-chloropropane;2-chloropropane
CID 174371360
2-chlorobutane;silane
CID 174414093
1,2,3,4-tetrachloropentane
CID 14572537
1-chloropropan-2-yloxysilane
CID 173192106

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloropropane;titanium?
The IUPAC name of 1,2-dichloropropane;titanium (CID 88762967) is 1,2-dichloropropane;titanium.
What is the SMILES notation for 1,2-dichloropropane;titanium?
The canonical SMILES for 1,2-dichloropropane;titanium is CC(Cl)CCl.[Ti].
What is the InChIKey of 1,2-dichloropropane;titanium?
The InChIKey is XRUKFCGPIMGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2.Ti/c1-3(5)2-4;/h3H,2H2,1H3;.
What are the key properties of 1,2-dichloropropane;titanium?
1,2-dichloropropane;titanium has a molecular weight of 160.85 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloropropane;titanium is sourced from PubChem (CID 88762967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).