[(E)-1-chloroprop-1-enyl]benzene;yttrium

C9H7ClY-2 — CID 162400102

IUPAC[(E)-1-chloroprop-1-enyl]benzene;yttrium
SMILES[CH2-]/C=C(/Cl)c1[c-]cccc1.[Y]
InChIInChI=1S/C9H7Cl.Y/c1-2-9(10)8-6-4-3-5-7-8;/h2-6H,1H2;/q-2;/b9-2+;
InChIKeyIAUAFUOJINDHLE-ZUKRFDGTSA-N
MW239.51 g/mol
LogP2.90
Rot. Bonds1

About [(E)-1-chloroprop-1-enyl]benzene;yttrium

[(E)-1-chloroprop-1-enyl]benzene;yttrium (PubChem CID 162400102) has the molecular formula C9H7ClY-2 and a molecular weight of 239.51 g/mol. Its IUPAC name is [(E)-1-chloroprop-1-enyl]benzene;yttrium.

Molecular Properties

Compound Name[(E)-1-chloroprop-1-enyl]benzene;yttrium
PubChem CID162400102
Molecular FormulaC9H7ClY-2
Molecular Weight239.51 g/mol
Exact Mass238.93
IUPAC Name[(E)-1-chloroprop-1-enyl]benzene;yttrium
SMILES[CH2-]/C=C(/Cl)c1[c-]cccc1.[Y]
InChIInChI=1S/C9H7Cl.Y/c1-2-9(10)8-6-4-3-5-7-8;/h2-6H,1H2;/q-2;/b9-2+;
InChIKeyIAUAFUOJINDHLE-ZUKRFDGTSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.51
LogP ≤ 52.90
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

1-Chloro-3,6-dimethylidenecyclohexa-1,4-diene
CID 59959981
magnesium;8-chloro-1H-naphthalen-1-ide;bromide
CID 134897981
1-Chloro-6-methylidenecyclohexa-1,4-diene
CID 57448626
1-Chloro-2-methylbenzene-4-ide;1,2-dimethylbenzene-5-ide;yttrium
CID 58755474
1-Chloroethenylbenzene;tungsten
CID 58914529
1-Chloro-3-methylidenecyclohexa-1,4-diene
CID 58998370
2-Chloro-2,3-dihydronaphthalene
CID 85861112
2-Chloro-1,8-dihydroanthracene-1,8-diide;ZINC
CID 88306995
2-chloro-1H-naphthalene
CID 152755620
3-chloro-2H-naphthalene
CID 152757134
5-Chloro-2,3-dihydronaphthalene
CID 154214824
2,6-Dihydronaphthalene-2,6-diide;bis(yttrium)
CID 155760489

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloroprop-1-enyl]benzene;yttrium?
The IUPAC name of [(E)-1-chloroprop-1-enyl]benzene;yttrium (CID 162400102) is [(E)-1-chloroprop-1-enyl]benzene;yttrium.
What is the SMILES notation for [(E)-1-chloroprop-1-enyl]benzene;yttrium?
The canonical SMILES for [(E)-1-chloroprop-1-enyl]benzene;yttrium is [CH2-]/C=C(/Cl)c1[c-]cccc1.[Y].
What is the InChIKey of [(E)-1-chloroprop-1-enyl]benzene;yttrium?
The InChIKey is IAUAFUOJINDHLE-ZUKRFDGTSA-N. The full InChI is InChI=1S/C9H7Cl.Y/c1-2-9(10)8-6-4-3-5-7-8;/h2-6H,1H2;/q-2;/b9-2+;.
What are the key properties of [(E)-1-chloroprop-1-enyl]benzene;yttrium?
[(E)-1-chloroprop-1-enyl]benzene;yttrium has a molecular weight of 239.51 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloroprop-1-enyl]benzene;yttrium is sourced from PubChem (CID 162400102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).