[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane

C28H46O4S4Si2 — CID 154171830

IUPAC[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane
SMILESCO[SiH](OC)C(CCCCCSSSSCCCCCC(c1ccccc1)[SiH](OC)OC)c1ccccc1
InChIInChI=1S/C28H46O4S4Si2/c1-29-37(30-2)27(25-17-9-5-10-18-25)21-13-7-15-23-33-35-36-34-24-16-8-14-22-28(38(31-3)32-4)26-19-11-6-12-20-26/h5-6,9-12,17-20,27-28,37-38H,7-8,13-16,21-24H2,1-4H3
InChIKeyOHQKEKRKCWMOKT-UHFFFAOYSA-N
MW631.11 g/mol
LogP8.46
Rot. Bonds23

About [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane

[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane (PubChem CID 154171830) has the molecular formula C28H46O4S4Si2 and a molecular weight of 631.11 g/mol. Its IUPAC name is [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane.

Molecular Properties

Compound Name[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane
PubChem CID154171830
Molecular FormulaC28H46O4S4Si2
Molecular Weight631.11 g/mol
Exact Mass630.18
IUPAC Name[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane
SMILESCO[SiH](OC)C(CCCCCSSSSCCCCCC(c1ccccc1)[SiH](OC)OC)c1ccccc1
InChIInChI=1S/C28H46O4S4Si2/c1-29-37(30-2)27(25-17-9-5-10-18-25)21-13-7-15-23-33-35-36-34-24-16-8-14-22-28(38(31-3)32-4)26-19-11-6-12-20-26/h5-6,9-12,17-20,27-28,37-38H,7-8,13-16,21-24H2,1-4H3
InChIKeyOHQKEKRKCWMOKT-UHFFFAOYSA-N
XLogP8.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.11
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-bromo-6-methoxyhexyl)benzene
CID 64508790
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
dichloro(1-phenylpentyl)silane
CID 173039565
1-ethoxydecylbenzene
CID 71423896
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894
(1R)-1-phenyloctan-1-ol
CID 12794259
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
(1-bromo-2-methylnonyl)benzene
CID 104846505
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761

Frequently Asked Questions

What is the IUPAC name of [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane?
The IUPAC name of [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane (CID 154171830) is [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane.
What is the SMILES notation for [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane?
The canonical SMILES for [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane is CO[SiH](OC)C(CCCCCSSSSCCCCCC(c1ccccc1)[SiH](OC)OC)c1ccccc1.
What is the InChIKey of [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane?
The InChIKey is OHQKEKRKCWMOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O4S4Si2/c1-29-37(30-2)27(25-17-9-5-10-18-25)21-13-7-15-23-33-35-36-34-24-16-8-14-22-28(38(31-3)32-4)26-19-11-6-12-20-26/h5-6,9-12,17-20,27-28,37-38H,7-8,13-16,21-24H2,1-4H3.
What are the key properties of [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane?
[6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane has a molecular weight of 631.11 g/mol, XLogP of 8.46, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-dimethoxysilyl-6-phenylhexyl)tetrasulfanyl]-1-phenylhexyl]-dimethoxysilane is sourced from PubChem (CID 154171830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).