(1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane

C16H44OS2Si4 — CID 161437371

IUPAC(1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane
SMILESC[Si](C)(C)[Si](C[C@@H](O)C1CCCC1)([Si](C)(C)C)[Si](C)(C)C.S.S
InChIInChI=1S/C16H40OSi4.2H2S/c1-18(2,3)21(19(4,5)6,20(7,8)9)14-16(17)15-12-10-11-13-15;;/h15-17H,10-14H2,1-9H3;2*1H2/t16-;;/m1../s1
InChIKeyVYVBDPBEEBOSDB-GGMCWBHBSA-N
MW429.01 g/mol
LogP5.46
Rot. Bonds6

About (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane

(1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane (PubChem CID 161437371) has the molecular formula C16H44OS2Si4 and a molecular weight of 429.01 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane
PubChem CID161437371
Molecular FormulaC16H44OS2Si4
Molecular Weight429.01 g/mol
Exact Mass428.19
IUPAC Name(1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane
SMILESC[Si](C)(C)[Si](C[C@@H](O)C1CCCC1)([Si](C)(C)C)[Si](C)(C)C.S.S
InChIInChI=1S/C16H40OSi4.2H2S/c1-18(2,3)21(19(4,5)6,20(7,8)9)14-16(17)15-12-10-11-13-15;;/h15-17H,10-14H2,1-9H3;2*1H2/t16-;;/m1../s1
InChIKeyVYVBDPBEEBOSDB-GGMCWBHBSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.01
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane?
The IUPAC name of (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane (CID 161437371) is (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane.
What is the SMILES notation for (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane?
The canonical SMILES for (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane is C[Si](C)(C)[Si](C[C@@H](O)C1CCCC1)([Si](C)(C)C)[Si](C)(C)C.S.S.
What is the InChIKey of (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane?
The InChIKey is VYVBDPBEEBOSDB-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H40OSi4.2H2S/c1-18(2,3)21(19(4,5)6,20(7,8)9)14-16(17)15-12-10-11-13-15;;/h15-17H,10-14H2,1-9H3;2*1H2/t16-;;/m1../s1.
What are the key properties of (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane?
(1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane has a molecular weight of 429.01 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-2-tris(trimethylsilyl)silylethanol;sulfane is sourced from PubChem (CID 161437371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).