(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol

C10H22O2Si2 — CID 101353353

IUPAC(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H22O2Si2/c1-13(2,3)9-7(11)8(12)10(9)14(4,5)6/h7-8,11-12H,1-6H3/t7-,8+
InChIKeyFFNUYBJNTUTSFP-OCAPTIKFSA-N
MW230.46 g/mol
LogP1.77
Rot. Bonds2

About (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol

(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol (PubChem CID 101353353) has the molecular formula C10H22O2Si2 and a molecular weight of 230.46 g/mol. Its IUPAC name is (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol
PubChem CID101353353
Molecular FormulaC10H22O2Si2
Molecular Weight230.46 g/mol
Exact Mass230.12
IUPAC Name(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H22O2Si2/c1-13(2,3)9-7(11)8(12)10(9)14(4,5)6/h7-8,11-12H,1-6H3/t7-,8+
InChIKeyFFNUYBJNTUTSFP-OCAPTIKFSA-N
XLogP1.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylic acid
CID 13379353
trimethyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)silane
CID 71362852
(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 25179994
5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
CID 129297100
trans-(1R,2R)-2-(4-trimethylsilylphenyl)selanylcyclohexan-1-ol
CID 11255894
2-methyl-5-methylidene-3,4-dihydropyrrole-3,4-diol
CID 58300563
(3Z,4R,5S)-4-hydroxy-3-(iodomethylidene)-5-methyloxolan-2-one
CID 71528693
dihydroxy(dimethyl)silane
CID 162053008
(2R,6aR)-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyl-2,4,6,6a-tetrahydro-1H-pentalen-2-ol
CID 132916381
1-methoxy-4-(2-methyl-3-trimethylsilylcycloprop-2-en-1-yl)but-3-en-2-one
CID 123857518
2-methyl-4,5-dihydro-1,3-oxazol-4-ol
CID 67930743
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol?
The IUPAC name of (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol (CID 101353353) is (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol.
What is the SMILES notation for (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol?
The canonical SMILES for (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol is C[Si](C)(C)C1=C([Si](C)(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol?
The InChIKey is FFNUYBJNTUTSFP-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H22O2Si2/c1-13(2,3)9-7(11)8(12)10(9)14(4,5)6/h7-8,11-12H,1-6H3/t7-,8+.
What are the key properties of (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol?
(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol has a molecular weight of 230.46 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol is sourced from PubChem (CID 101353353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).