4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane

C22H26Cl2Si — CID 173320857

IUPAC4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(c2ccc(-c3ccc(/C(Cl)=C/Cl)cc3)cc2)CC1
InChIInChI=1S/C22H26Cl2Si/c1-2-13-25-14-11-20(12-15-25)19-5-3-17(4-6-19)18-7-9-21(10-8-18)22(24)16-23/h3-10,16,20,25H,2,11-15H2,1H3/b22-16-
InChIKeyQKIIBAVWADWADG-JWGURIENSA-N
MW389.44 g/mol
LogP7.64
Rot. Bonds5

About 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane

4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane (PubChem CID 173320857) has the molecular formula C22H26Cl2Si and a molecular weight of 389.44 g/mol. Its IUPAC name is 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane
PubChem CID173320857
Molecular FormulaC22H26Cl2Si
Molecular Weight389.44 g/mol
Exact Mass388.12
IUPAC Name4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(c2ccc(-c3ccc(/C(Cl)=C/Cl)cc3)cc2)CC1
InChIInChI=1S/C22H26Cl2Si/c1-2-13-25-14-11-20(12-15-25)19-5-3-17(4-6-19)18-7-9-21(10-8-18)22(24)16-23/h3-10,16,20,25H,2,11-15H2,1H3/b22-16-
InChIKeyQKIIBAVWADWADG-JWGURIENSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane?
The IUPAC name of 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane (CID 173320857) is 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane.
What is the SMILES notation for 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane?
The canonical SMILES for 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane is CCC[SiH]1CCC(c2ccc(-c3ccc(/C(Cl)=C/Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane?
The InChIKey is QKIIBAVWADWADG-JWGURIENSA-N. The full InChI is InChI=1S/C22H26Cl2Si/c1-2-13-25-14-11-20(12-15-25)19-5-3-17(4-6-19)18-7-9-21(10-8-18)22(24)16-23/h3-10,16,20,25H,2,11-15H2,1H3/b22-16-.
What are the key properties of 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane?
4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane has a molecular weight of 389.44 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane is sourced from PubChem (CID 173320857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).