1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid

C12H26O5SSi — CID 123927759

IUPAC1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)CC1(S(=O)(=O)O)CC1
InChIInChI=1S/C12H26O5SSi/c1-11(2,3)19(4,5)17-9-10(13)8-12(6-7-12)18(14,15)16/h10,13H,6-9H2,1-5H3,(H,14,15,16)/t10-/m1/s1
InChIKeyUCHAMOFGNBIYNT-SNVBAGLBSA-N
MW310.49 g/mol
LogP2.18
Rot. Bonds6

About 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid

1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid (PubChem CID 123927759) has the molecular formula C12H26O5SSi and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid.

Molecular Properties

Compound Name1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid
PubChem CID123927759
Molecular FormulaC12H26O5SSi
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)CC1(S(=O)(=O)O)CC1
InChIInChI=1S/C12H26O5SSi/c1-11(2,3)19(4,5)17-9-10(13)8-12(6-7-12)18(14,15)16/h10,13H,6-9H2,1-5H3,(H,14,15,16)/t10-/m1/s1
InChIKeyUCHAMOFGNBIYNT-SNVBAGLBSA-N
XLogP2.18
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylsulfonyloxycyclopropyl)ethyl] methanesulfonate
CID 102424780
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
CID 90010746

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid?
The IUPAC name of 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid (CID 123927759) is 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid.
What is the SMILES notation for 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid?
The canonical SMILES for 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid is CC(C)(C)[Si](C)(C)OC[C@H](O)CC1(S(=O)(=O)O)CC1.
What is the InChIKey of 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid?
The InChIKey is UCHAMOFGNBIYNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26O5SSi/c1-11(2,3)19(4,5)17-9-10(13)8-12(6-7-12)18(14,15)16/h10,13H,6-9H2,1-5H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid?
1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid has a molecular weight of 310.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]cyclopropane-1-sulfonic acid is sourced from PubChem (CID 123927759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).