1-(4-tert-butylphenyl)octyl-dichlorosilane

C18H30Cl2Si — CID 172998452

IUPAC1-(4-tert-butylphenyl)octyl-dichlorosilane
SMILESCCCCCCCC(c1ccc(C(C)(C)C)cc1)[SiH](Cl)Cl
InChIInChI=1S/C18H30Cl2Si/c1-5-6-7-8-9-10-17(21(19)20)15-11-13-16(14-12-15)18(2,3)4/h11-14,17,21H,5-10H2,1-4H3
InChIKeyIANAADXUWFVNLA-UHFFFAOYSA-N
MW345.43 g/mol
LogP6.67
Rot. Bonds8

About 1-(4-tert-butylphenyl)octyl-dichlorosilane

1-(4-tert-butylphenyl)octyl-dichlorosilane (PubChem CID 172998452) has the molecular formula C18H30Cl2Si and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)octyl-dichlorosilane.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)octyl-dichlorosilane
PubChem CID172998452
Molecular FormulaC18H30Cl2Si
Molecular Weight345.43 g/mol
Exact Mass344.15
IUPAC Name1-(4-tert-butylphenyl)octyl-dichlorosilane
SMILESCCCCCCCC(c1ccc(C(C)(C)C)cc1)[SiH](Cl)Cl
InChIInChI=1S/C18H30Cl2Si/c1-5-6-7-8-9-10-17(21(19)20)15-11-13-16(14-12-15)18(2,3)4/h11-14,17,21H,5-10H2,1-4H3
InChIKeyIANAADXUWFVNLA-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 56.67
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-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
dichloro(1-phenylpentyl)silane
CID 173039565
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
1-(1-chlorohexyl)-4-(2-methylbutan-2-yl)benzene
CID 66258041
1-(4-tert-butylphenyl)propyl-difluorosilane
CID 173091162
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-tert-butyl-4-undecylbenzene
CID 162402478
2-(4-tert-butylphenyl)hexanenitrile
CID 164597888

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)octyl-dichlorosilane?
The IUPAC name of 1-(4-tert-butylphenyl)octyl-dichlorosilane (CID 172998452) is 1-(4-tert-butylphenyl)octyl-dichlorosilane.
What is the SMILES notation for 1-(4-tert-butylphenyl)octyl-dichlorosilane?
The canonical SMILES for 1-(4-tert-butylphenyl)octyl-dichlorosilane is CCCCCCCC(c1ccc(C(C)(C)C)cc1)[SiH](Cl)Cl.
What is the InChIKey of 1-(4-tert-butylphenyl)octyl-dichlorosilane?
The InChIKey is IANAADXUWFVNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Cl2Si/c1-5-6-7-8-9-10-17(21(19)20)15-11-13-16(14-12-15)18(2,3)4/h11-14,17,21H,5-10H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)octyl-dichlorosilane?
1-(4-tert-butylphenyl)octyl-dichlorosilane has a molecular weight of 345.43 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)octyl-dichlorosilane is sourced from PubChem (CID 172998452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).