1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone

C16H32O3Si — CID 10870321

IUPAC1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1[C@H](CC(C)(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-11(17)12-9-13(12)14(10-16(5,6)18)19-20(7,8)15(2,3)4/h12-14,18H,9-10H2,1-8H3/t12-,13+,14-/m0/s1
InChIKeyVBWIPKJQSDGCOM-MJBXVCDLSA-N
MW300.51 g/mol
LogP3.76
Rot. Bonds6

About 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone

1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone (PubChem CID 10870321) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone
PubChem CID10870321
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1[C@H](CC(C)(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-11(17)12-9-13(12)14(10-16(5,6)18)19-20(7,8)15(2,3)4/h12-14,18H,9-10H2,1-8H3/t12-,13+,14-/m0/s1
InChIKeyVBWIPKJQSDGCOM-MJBXVCDLSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202437
(4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202438
(3R,7R,11R,15R)-1,16-Bis(tert-butyldimethylsilyloxy)-11-hydroxy-3,7,11,15-tetramethyl-4-hexadecanone
CID 23727962
(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one
CID 10913630
(4R,5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethylnonan-3-one
CID 11024031
(3S,6S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloctan-2-one
CID 11452418
(5R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethylnonan-3-one
CID 15202446
(5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethylnonan-3-one
CID 15202447
(4S,5S,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6,8-trimethylnonan-3-one
CID 23656510
(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one
CID 71764106
(5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethylnonan-3-one
CID 101148857
(5R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethylnonan-3-one
CID 101148858

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone (CID 10870321) is 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@H]1[C@H](CC(C)(C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone?
The InChIKey is VBWIPKJQSDGCOM-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-11(17)12-9-13(12)14(10-16(5,6)18)19-20(7,8)15(2,3)4/h12-14,18H,9-10H2,1-8H3/t12-,13+,14-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone?
1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone has a molecular weight of 300.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone is sourced from PubChem (CID 10870321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).