[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate

C15H32O6S2Si — CID 151398547

IUPAC[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
SMILESCC(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)C1(COS(C)(=O)=O)CC1
InChIInChI=1S/C15H32O6S2Si/c1-13(8-11-21-24(6,7)14(2,3)4)23(18,19)15(9-10-15)12-20-22(5,16)17/h13H,8-12H2,1-7H3
InChIKeyOVZIAQYGVUJSAP-UHFFFAOYSA-N
MW400.64 g/mol
LogP2.71
Rot. Bonds9

About [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate

[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate (PubChem CID 151398547) has the molecular formula C15H32O6S2Si and a molecular weight of 400.64 g/mol. Its IUPAC name is [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate.

Molecular Properties

Compound Name[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
PubChem CID151398547
Molecular FormulaC15H32O6S2Si
Molecular Weight400.64 g/mol
Exact Mass400.14
IUPAC Name[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
SMILESCC(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)C1(COS(C)(=O)=O)CC1
InChIInChI=1S/C15H32O6S2Si/c1-13(8-11-21-24(6,7)14(2,3)4)23(18,19)15(9-10-15)12-20-22(5,16)17/h13H,8-12H2,1-7H3
InChIKeyOVZIAQYGVUJSAP-UHFFFAOYSA-N
XLogP2.71
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
CID 54173947
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
CID 10063178
[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
CID 145359169
4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
CID 91548982
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol;5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87794972
methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate
CID 175541314
1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid
CID 123927759

Frequently Asked Questions

What is the IUPAC name of [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate?
The IUPAC name of [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate (CID 151398547) is [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate.
What is the SMILES notation for [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate?
The canonical SMILES for [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate is CC(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)C1(COS(C)(=O)=O)CC1.
What is the InChIKey of [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate?
The InChIKey is OVZIAQYGVUJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6S2Si/c1-13(8-11-21-24(6,7)14(2,3)4)23(18,19)15(9-10-15)12-20-22(5,16)17/h13H,8-12H2,1-7H3.
What are the key properties of [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate?
[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate has a molecular weight of 400.64 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate is sourced from PubChem (CID 151398547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).