trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol

C10H22OSi — CID 15448298

IUPACtrans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol
SMILESCC(C)(C)[C@@]1(O)C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9(2,3)10(11)7-8(10)12(4,5)6/h8,11H,7H2,1-6H3/t8-,10+/m0/s1
InChIKeyNVSCYCWQXDEWPL-WCBMZHEXSA-N
MW186.37 g/mol
LogP2.88
Rot. Bonds1

About trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol

trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol (PubChem CID 15448298) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol
PubChem CID15448298
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Nametrans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol
SMILESCC(C)(C)[C@@]1(O)C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9(2,3)10(11)7-8(10)12(4,5)6/h8,11H,7H2,1-6H3/t8-,10+/m0/s1
InChIKeyNVSCYCWQXDEWPL-WCBMZHEXSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-Tert-butylcyclopropyl)oxy-trimethylsilane
CID 12627955
trans-(1R,2R)-1-propyl-2-trimethylsilylcyclopropan-1-ol
CID 101091246
cis-(1R,2S)-1-propyl-2-trimethylsilylcyclopropan-1-ol
CID 134997612
cis-(1S,2R)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol
CID 135056894
1-Ethyl-1-hydroxy-2-(trimethylsilyl)cyclopropane
CID 67276772
3-Dimethylsilyl-2,2-dimethylpentan-3-ol
CID 173072717
1-Methyl-2-(2-methylpentan-2-ylsilyl)cyclopropan-1-ol
CID 173098189
3-[1-(Trimethylsilyl)cyclopropyl]-3-pentanol
CID 12865117
trans-(1S,2S)-1-propyl-2-trimethylsilylcyclopropan-1-ol
CID 15448293
2-(1-Trimethylsilylcyclopropyl)propan-2-ol
CID 90482751
trans-(1R,2R)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol
CID 101091249

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol?
The IUPAC name of trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol (CID 15448298) is trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol is CC(C)(C)[C@@]1(O)C[C@@H]1[Si](C)(C)C.
What is the InChIKey of trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol?
The InChIKey is NVSCYCWQXDEWPL-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H22OSi/c1-9(2,3)10(11)7-8(10)12(4,5)6/h8,11H,7H2,1-6H3/t8-,10+/m0/s1.
What are the key properties of trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol?
trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol has a molecular weight of 186.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-tert-butyl-2-trimethylsilylcyclopropan-1-ol is sourced from PubChem (CID 15448298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).