(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one

C8H14O2Si — CID 102139775

IUPAC(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESC[Si](C)(C)[C@@]12C[C@@H]1COC2=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)8-4-6(8)5-10-7(8)9/h6H,4-5H2,1-3H3/t6-,8+/m1/s1
InChIKeyURHKCIJHLNXVLQ-SVRRBLITSA-N
MW170.28 g/mol
LogP1.64
Rot. Bonds1

About (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one

(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 102139775) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID102139775
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESC[Si](C)(C)[C@@]12C[C@@H]1COC2=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)8-4-6(8)5-10-7(8)9/h6H,4-5H2,1-3H3/t6-,8+/m1/s1
InChIKeyURHKCIJHLNXVLQ-SVRRBLITSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 158344420
(1R,5S)-1-methylsulfonyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 146281487
(1R,5R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 15389012
(1R)-1-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 67594160
4-amino-3,3-dimethyloxolan-2-one
CID 59657819
(1R,5S)-1-(3-methylbutanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 163001192
(1S,5R)-1-(4-methylpentanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 139591555
tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate
CID 14682639
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(1S,5R,8S)-8-(bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 6559228
8,8-dimethyl-1a,2,3,4,4a,5-hexahydrooxireno[2,3-e]isochromen-7-one
CID 121222556

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one (CID 102139775) is (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one is C[Si](C)(C)[C@@]12C[C@@H]1COC2=O.
What is the InChIKey of (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is URHKCIJHLNXVLQ-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-11(2,3)8-4-6(8)5-10-7(8)9/h6H,4-5H2,1-3H3/t6-,8+/m1/s1.
What are the key properties of (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one?
(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 170.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 102139775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).