(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one

C16H30O2Si — CID 134856943

IUPAC(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one
SMILESC[C@H]1CC(=O)[C@]2(CCO[Si](C)(C)C(C)(C)C)CCC12
InChIInChI=1S/C16H30O2Si/c1-12-11-14(17)16(8-7-13(12)16)9-10-18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13?,16-/m0/s1
InChIKeyZRIAUFALJYAVOS-BSBHGOPBSA-N
MW282.50 g/mol
LogP4.40
Rot. Bonds4

About (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one

(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one (PubChem CID 134856943) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one
PubChem CID134856943
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one
SMILESC[C@H]1CC(=O)[C@]2(CCO[Si](C)(C)C(C)(C)C)CCC12
InChIInChI=1S/C16H30O2Si/c1-12-11-14(17)16(8-7-13(12)16)9-10-18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13?,16-/m0/s1
InChIKeyZRIAUFALJYAVOS-BSBHGOPBSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one (CID 134856943) is (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one is C[C@H]1CC(=O)[C@]2(CCO[Si](C)(C)C(C)(C)C)CCC12.
What is the InChIKey of (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one?
The InChIKey is ZRIAUFALJYAVOS-BSBHGOPBSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-11-14(17)16(8-7-13(12)16)9-10-18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13?,16-/m0/s1.
What are the key properties of (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one?
(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one has a molecular weight of 282.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 134856943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).