3-chloro-2-methanidylprop-1-ene;ethanol;titanium

C10H24ClO3Ti- — CID 174484856

IUPAC3-chloro-2-methanidylprop-1-ene;ethanol;titanium
SMILESC=C([CH2-])CCl.CCO.CCO.CCO.[Ti]
InChIInChI=1S/C4H6Cl.3C2H6O.Ti/c1-4(2)3-5;3*1-2-3;/h1-3H2;3*3H,2H2,1H3;/q-1;;;;
InChIKeyYELFTYHZOBAFAH-UHFFFAOYSA-N
MW275.62 g/mol
LogP1.61
Rot. Bonds1

About 3-chloro-2-methanidylprop-1-ene;ethanol;titanium

3-chloro-2-methanidylprop-1-ene;ethanol;titanium (PubChem CID 174484856) has the molecular formula C10H24ClO3Ti- and a molecular weight of 275.62 g/mol. Its IUPAC name is 3-chloro-2-methanidylprop-1-ene;ethanol;titanium.

Molecular Properties

Compound Name3-chloro-2-methanidylprop-1-ene;ethanol;titanium
PubChem CID174484856
Molecular FormulaC10H24ClO3Ti-
Molecular Weight275.62 g/mol
Exact Mass275.09
IUPAC Name3-chloro-2-methanidylprop-1-ene;ethanol;titanium
SMILESC=C([CH2-])CCl.CCO.CCO.CCO.[Ti]
InChIInChI=1S/C4H6Cl.3C2H6O.Ti/c1-4(2)3-5;3*1-2-3;/h1-3H2;3*3H,2H2,1H3;/q-1;;;;
InChIKeyYELFTYHZOBAFAH-UHFFFAOYSA-N
XLogP1.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(dichloromethane);ethanol
CID 173133472
ethanol;titanium
CID 25200198
dichloromethane;ethanol;propane
CID 91081470
magnesium;2-methanidylbut-1-ene;bromide
CID 10888403
ethanol;titanium;tetrahydrochloride
CID 173320781
CID 175792645
CID 175792645
ethanol;sulfane;titanium
CID 174910918
CID 91016120
CID 91016120
1,1-difluoroethene;ethanol
CID 19891756
magnesium;ethanol;hydride;titanium
CID 173169626
ethane;ethanol;zirconium(2+)
CID 23068931
ethane;ethanol;titanium(3+)
CID 139843114

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methanidylprop-1-ene;ethanol;titanium?
The IUPAC name of 3-chloro-2-methanidylprop-1-ene;ethanol;titanium (CID 174484856) is 3-chloro-2-methanidylprop-1-ene;ethanol;titanium.
What is the SMILES notation for 3-chloro-2-methanidylprop-1-ene;ethanol;titanium?
The canonical SMILES for 3-chloro-2-methanidylprop-1-ene;ethanol;titanium is C=C([CH2-])CCl.CCO.CCO.CCO.[Ti].
What is the InChIKey of 3-chloro-2-methanidylprop-1-ene;ethanol;titanium?
The InChIKey is YELFTYHZOBAFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl.3C2H6O.Ti/c1-4(2)3-5;3*1-2-3;/h1-3H2;3*3H,2H2,1H3;/q-1;;;;.
What are the key properties of 3-chloro-2-methanidylprop-1-ene;ethanol;titanium?
3-chloro-2-methanidylprop-1-ene;ethanol;titanium has a molecular weight of 275.62 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methanidylprop-1-ene;ethanol;titanium is sourced from PubChem (CID 174484856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).