methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate

C12H26O4SSi — CID 175541314

IUPACmethyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate
SMILESCOS(=O)(=O)CC1(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H26O4SSi/c1-11(2,3)18(5,6)16-9-12(7-8-12)10-17(13,14)15-4/h7-10H2,1-6H3
InChIKeySPKQZFDYCOUFLK-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.76
Rot. Bonds6

About methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate

methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate (PubChem CID 175541314) has the molecular formula C12H26O4SSi and a molecular weight of 294.49 g/mol. Its IUPAC name is methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate.

Molecular Properties

Compound Namemethyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate
PubChem CID175541314
Molecular FormulaC12H26O4SSi
Molecular Weight294.49 g/mol
Exact Mass294.13
IUPAC Namemethyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate
SMILESCOS(=O)(=O)CC1(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H26O4SSi/c1-11(2,3)18(5,6)16-9-12(7-8-12)10-17(13,14)15-4/h7-10H2,1-6H3
InChIKeySPKQZFDYCOUFLK-UHFFFAOYSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
CID 158962820
tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]methoxy]-dimethylsilane
CID 11710579
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
tert-butyl-dimethyl-[(1-prop-2-ynylcyclobutyl)methoxy]silane
CID 165342832
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
CID 59249507
(3aS,7aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7a-dimethyl-2,3,4,5-tetrahydroinden-1-one
CID 11130650
[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
CID 151398547
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid
CID 123927759
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151

Frequently Asked Questions

What is the IUPAC name of methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate?
The IUPAC name of methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate (CID 175541314) is methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate.
What is the SMILES notation for methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate?
The canonical SMILES for methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate is COS(=O)(=O)CC1(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate?
The InChIKey is SPKQZFDYCOUFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4SSi/c1-11(2,3)18(5,6)16-9-12(7-8-12)10-17(13,14)15-4/h7-10H2,1-6H3.
What are the key properties of methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate?
methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate has a molecular weight of 294.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate is sourced from PubChem (CID 175541314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).