1-chloro-4-(4-chlorophenyl)-1-heptylsilinane

C18H28Cl2Si — CID 139789205

IUPAC1-chloro-4-(4-chlorophenyl)-1-heptylsilinane
SMILESCCCCCCC[Si]1(Cl)CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28Cl2Si/c1-2-3-4-5-6-13-21(20)14-11-17(12-15-21)16-7-9-18(19)10-8-16/h7-10,17H,2-6,11-15H2,1H3
InChIKeyLWAZRJUESSEWFL-UHFFFAOYSA-N
MW343.41 g/mol
LogP7.37
Rot. Bonds7

About 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane

1-chloro-4-(4-chlorophenyl)-1-heptylsilinane (PubChem CID 139789205) has the molecular formula C18H28Cl2Si and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)-1-heptylsilinane
PubChem CID139789205
Molecular FormulaC18H28Cl2Si
Molecular Weight343.41 g/mol
Exact Mass342.13
IUPAC Name1-chloro-4-(4-chlorophenyl)-1-heptylsilinane
SMILESCCCCCCC[Si]1(Cl)CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28Cl2Si/c1-2-3-4-5-6-13-21(20)14-11-17(12-15-21)16-7-9-18(19)10-8-16/h7-10,17H,2-6,11-15H2,1H3
InChIKeyLWAZRJUESSEWFL-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
CID 21470316
CID 21470316
(2S,4R,5S)-2-[4-(4-chlorophenyl)cyclohexyl]-4-methyl-5-octyl-1,3-dioxane
CID 67742702
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
CID 3104712
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
2-(4-chlorophenyl)-5-(4-hexylphenyl)-1,3,2-dioxaborinane
CID 14527853

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane (CID 139789205) is 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane is CCCCCCC[Si]1(Cl)CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane?
The InChIKey is LWAZRJUESSEWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Cl2Si/c1-2-3-4-5-6-13-21(20)14-11-17(12-15-21)16-7-9-18(19)10-8-16/h7-10,17H,2-6,11-15H2,1H3.
What are the key properties of 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane?
1-chloro-4-(4-chlorophenyl)-1-heptylsilinane has a molecular weight of 343.41 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)-1-heptylsilinane is sourced from PubChem (CID 139789205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).