trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane

C25H42OSSi — CID 170689051

IUPACtrimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane
SMILESCC(C)OCCCSCCCCCCCCC#Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C25H42OSSi/c1-23(2)26-20-14-22-27-21-13-11-9-7-6-8-10-12-15-24-16-18-25(19-17-24)28(3,4)5/h16-19,23H,6-11,13-14,20-22H2,1-5H3
InChIKeyDSZDYISNYWGOPT-UHFFFAOYSA-N
MW418.76 g/mol
LogP6.86
Rot. Bonds14

About trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane

trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane (PubChem CID 170689051) has the molecular formula C25H42OSSi and a molecular weight of 418.76 g/mol. Its IUPAC name is trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane
PubChem CID170689051
Molecular FormulaC25H42OSSi
Molecular Weight418.76 g/mol
Exact Mass418.27
IUPAC Nametrimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane
SMILESCC(C)OCCCSCCCCCCCCC#Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C25H42OSSi/c1-23(2)26-20-14-22-27-21-13-11-9-7-6-8-10-12-15-24-16-18-25(19-17-24)28(3,4)5/h16-19,23H,6-11,13-14,20-22H2,1-5H3
InChIKeyDSZDYISNYWGOPT-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.76
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane (CID 170689051) is trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane is CC(C)OCCCSCCCCCCCCC#Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane?
The InChIKey is DSZDYISNYWGOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42OSSi/c1-23(2)26-20-14-22-27-21-13-11-9-7-6-8-10-12-15-24-16-18-25(19-17-24)28(3,4)5/h16-19,23H,6-11,13-14,20-22H2,1-5H3.
What are the key properties of trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane?
trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane has a molecular weight of 418.76 g/mol, XLogP of 6.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane is sourced from PubChem (CID 170689051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).