3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol

C14H28O2Si — CID 57368114

IUPAC3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol
SMILESCC(=C[C@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C14H28O2Si/c1-11(9-15)7-12-8-13(12)10-16-17(5,6)14(2,3)4/h7,12-13,15H,8-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyZFERXFFJIFFCOS-QWHCGFSZSA-N
MW256.46 g/mol
LogP3.58
Rot. Bonds5

About 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol

3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol (PubChem CID 57368114) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol
PubChem CID57368114
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol
SMILESCC(=C[C@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C14H28O2Si/c1-11(9-15)7-12-8-13(12)10-16-17(5,6)14(2,3)4/h7,12-13,15H,8-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyZFERXFFJIFFCOS-QWHCGFSZSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol?
The IUPAC name of 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol (CID 57368114) is 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol is CC(=C[C@H]1C[C@@H]1CO[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol?
The InChIKey is ZFERXFFJIFFCOS-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(9-15)7-12-8-13(12)10-16-17(5,6)14(2,3)4/h7,12-13,15H,8-10H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol?
3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 57368114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).