trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane

C26H46O2SSi2 — CID 14961476

IUPACtrimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
SMILESCC(C)[Si](OCC1(CO[Si](C)(C)C)CCC=CC1Sc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H46O2SSi2/c1-21(2)31(22(3)4,23(5)6)28-20-26(19-27-30(7,8)9)18-14-13-17-25(26)29-24-15-11-10-12-16-24/h10-13,15-17,21-23,25H,14,18-20H2,1-9H3
InChIKeyZFCQANBYZWJHGP-UHFFFAOYSA-N
MW478.89 g/mol
LogP8.53
Rot. Bonds11

About trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane

trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane (PubChem CID 14961476) has the molecular formula C26H46O2SSi2 and a molecular weight of 478.89 g/mol. Its IUPAC name is trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
PubChem CID14961476
Molecular FormulaC26H46O2SSi2
Molecular Weight478.89 g/mol
Exact Mass478.28
IUPAC Nametrimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
SMILESCC(C)[Si](OCC1(CO[Si](C)(C)C)CCC=CC1Sc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H46O2SSi2/c1-21(2)31(22(3)4,23(5)6)28-20-26(19-27-30(7,8)9)18-14-13-17-25(26)29-24-15-11-10-12-16-24/h10-13,15-17,21-23,25H,14,18-20H2,1-9H3
InChIKeyZFCQANBYZWJHGP-UHFFFAOYSA-N
XLogP8.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.89
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane?
The IUPAC name of trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane (CID 14961476) is trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane.
What is the SMILES notation for trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane?
The canonical SMILES for trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane is CC(C)[Si](OCC1(CO[Si](C)(C)C)CCC=CC1Sc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane?
The InChIKey is ZFCQANBYZWJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2SSi2/c1-21(2)31(22(3)4,23(5)6)28-20-26(19-27-30(7,8)9)18-14-13-17-25(26)29-24-15-11-10-12-16-24/h10-13,15-17,21-23,25H,14,18-20H2,1-9H3.
What are the key properties of trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane?
trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane has a molecular weight of 478.89 g/mol, XLogP of 8.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 14961476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).