[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate

C15H32O4SSi — CID 145359169

IUPAC[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)C[C@H](C)OS(C)(=O)=O
InChIInChI=1S/C15H32O4SSi/c1-9-14(12-13(2)19-20(6,16)17)10-11-18-21(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14?/m0/s1
InChIKeyCGWUCMAWCZGIGN-LSLKUGRBSA-N
MW336.57 g/mol
LogP3.96
Rot. Bonds9

About [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate

[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate (PubChem CID 145359169) has the molecular formula C15H32O4SSi and a molecular weight of 336.57 g/mol. Its IUPAC name is [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
PubChem CID145359169
Molecular FormulaC15H32O4SSi
Molecular Weight336.57 g/mol
Exact Mass336.18
IUPAC Name[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)C[C@H](C)OS(C)(=O)=O
InChIInChI=1S/C15H32O4SSi/c1-9-14(12-13(2)19-20(6,16)17)10-11-18-21(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14?/m0/s1
InChIKeyCGWUCMAWCZGIGN-LSLKUGRBSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 53.96
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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
CID 145359416
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol;5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87794972
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-yl] methanesulfonate
CID 11175040
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
CID 66552565
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate?
The IUPAC name of [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate (CID 145359169) is [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate.
What is the SMILES notation for [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate?
The canonical SMILES for [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate is C=CC(CCO[Si](C)(C)C(C)(C)C)C[C@H](C)OS(C)(=O)=O.
What is the InChIKey of [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate?
The InChIKey is CGWUCMAWCZGIGN-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H32O4SSi/c1-9-14(12-13(2)19-20(6,16)17)10-11-18-21(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14?/m0/s1.
What are the key properties of [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate?
[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate has a molecular weight of 336.57 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate is sourced from PubChem (CID 145359169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).