[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone

C14H28O2S2Si — CID 53389216

IUPAC[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone
SMILESC=CC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)SC(=O)SC
InChIInChI=1S/C14H28O2S2Si/c1-9-12(18-13(15)17-6)10-11(2)16-19(7,8)14(3,4)5/h9,11-12H,1,10H2,2-8H3/t11-,12?/m1/s1
InChIKeyBHDGFSMGEUOZSR-JHJMLUEUSA-N
MW320.60 g/mol
LogP5.56
Rot. Bonds6

About [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone

[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone (PubChem CID 53389216) has the molecular formula C14H28O2S2Si and a molecular weight of 320.60 g/mol. Its IUPAC name is [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone.

Molecular Properties

Compound Name[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone
PubChem CID53389216
Molecular FormulaC14H28O2S2Si
Molecular Weight320.60 g/mol
Exact Mass320.13
IUPAC Name[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone
SMILESC=CC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)SC(=O)SC
InChIInChI=1S/C14H28O2S2Si/c1-9-12(18-13(15)17-6)10-11(2)16-19(7,8)14(3,4)5/h9,11-12H,1,10H2,2-8H3/t11-,12?/m1/s1
InChIKeyBHDGFSMGEUOZSR-JHJMLUEUSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.60
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone?
The IUPAC name of [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone (CID 53389216) is [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone.
What is the SMILES notation for [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone?
The canonical SMILES for [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone is C=CC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)SC(=O)SC.
What is the InChIKey of [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone?
The InChIKey is BHDGFSMGEUOZSR-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H28O2S2Si/c1-9-12(18-13(15)17-6)10-11(2)16-19(7,8)14(3,4)5/h9,11-12H,1,10H2,2-8H3/t11-,12?/m1/s1.
What are the key properties of [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone?
[(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone has a molecular weight of 320.60 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl]sulfanyl-methylsulfanylmethanone is sourced from PubChem (CID 53389216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).