5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate

C12H24O4SSi — CID 57027171

IUPAC5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCCC#CCOS(C)(=O)=O
InChIInChI=1S/C12H24O4SSi/c1-12(2,3)18(5,6)16-11-9-7-8-10-15-17(4,13)14/h9-11H2,1-6H3
InChIKeyQXWPJKVCIWORIW-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.38
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate

5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate (PubChem CID 57027171) has the molecular formula C12H24O4SSi and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
PubChem CID57027171
Molecular FormulaC12H24O4SSi
Molecular Weight292.47 g/mol
Exact Mass292.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCCC#CCOS(C)(=O)=O
InChIInChI=1S/C12H24O4SSi/c1-12(2,3)18(5,6)16-11-9-7-8-10-15-17(4,13)14/h9-11H2,1-6H3
InChIKeyQXWPJKVCIWORIW-UHFFFAOYSA-N
XLogP2.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
4-methylsulfonyloxybut-2-ynyl methanesulfonate
CID 18019
CID 21344899
CID 21344899
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
lithium tert-butyl-but-3-ynoxy-dimethylsilane
CID 11063224
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
CID 15222237
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
6-(oxan-2-yloxy)hex-2-ynyl methanesulfonate
CID 121002580
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate (CID 57027171) is 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate is CC(C)(C)[Si](C)(C)OCCC#CCOS(C)(=O)=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate?
The InChIKey is QXWPJKVCIWORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4SSi/c1-12(2,3)18(5,6)16-11-9-7-8-10-15-17(4,13)14/h9-11H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate?
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate has a molecular weight of 292.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate is sourced from PubChem (CID 57027171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).