triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane

C20H30OSSi — CID 56933457

IUPACtriethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1CC=C(Sc2ccccc2)C=C[C@@H]1C
InChIInChI=1S/C20H30OSSi/c1-5-23(6-2,7-3)21-20-16-15-19(14-13-17(20)4)22-18-11-9-8-10-12-18/h8-15,17,20H,5-7,16H2,1-4H3/t17-,20-/m0/s1
InChIKeyMZMUSCOZVHXMIP-PXNSSMCTSA-N
MW346.61 g/mol
LogP6.65
Rot. Bonds7

About triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane

triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane (PubChem CID 56933457) has the molecular formula C20H30OSSi and a molecular weight of 346.61 g/mol. Its IUPAC name is triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane
PubChem CID56933457
Molecular FormulaC20H30OSSi
Molecular Weight346.61 g/mol
Exact Mass346.18
IUPAC Nametriethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1CC=C(Sc2ccccc2)C=C[C@@H]1C
InChIInChI=1S/C20H30OSSi/c1-5-23(6-2,7-3)21-20-16-15-19(14-13-17(20)4)22-18-11-9-8-10-12-18/h8-15,17,20H,5-7,16H2,1-4H3/t17-,20-/m0/s1
InChIKeyMZMUSCOZVHXMIP-PXNSSMCTSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.61
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane?
The IUPAC name of triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane (CID 56933457) is triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane is CC[Si](CC)(CC)O[C@H]1CC=C(Sc2ccccc2)C=C[C@@H]1C.
What is the InChIKey of triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane?
The InChIKey is MZMUSCOZVHXMIP-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H30OSSi/c1-5-23(6-2,7-3)21-20-16-15-19(14-13-17(20)4)22-18-11-9-8-10-12-18/h8-15,17,20H,5-7,16H2,1-4H3/t17-,20-/m0/s1.
What are the key properties of triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane?
triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane has a molecular weight of 346.61 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane is sourced from PubChem (CID 56933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).