[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol

C12H26O2Si — CID 11160591

IUPAC[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
SMILESC[C@H]1[C@H](CO)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9-10(7-13)11(9)8-14-15(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9-,10-,11-/m0/s1
InChIKeyKALIFRKQTNPICL-DCAQKATOSA-N
MW230.42 g/mol
LogP2.88
Rot. Bonds4

About [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol

[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol (PubChem CID 11160591) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
PubChem CID11160591
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
SMILESC[C@H]1[C@H](CO)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9-10(7-13)11(9)8-14-15(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9-,10-,11-/m0/s1
InChIKeyKALIFRKQTNPICL-DCAQKATOSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705
tert-butyl-[[(1R,5R)-4,5-dimethylcyclopent-2-en-1-yl]methoxy]-dimethylsilane
CID 59483139
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
1-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11471775
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
CID 59063136

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol?
The IUPAC name of [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol (CID 11160591) is [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol is C[C@H]1[C@H](CO)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol?
The InChIKey is KALIFRKQTNPICL-DCAQKATOSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-9-10(7-13)11(9)8-14-15(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9-,10-,11-/m0/s1.
What are the key properties of [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol?
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol has a molecular weight of 230.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol is sourced from PubChem (CID 11160591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).