(2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one

C16H30O2Si — CID 101390850

IUPAC(2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CC(=O)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-11(2)13-9-15(17)12(3)14(13)10-18-19(7,8)16(4,5)6/h12-14H,1,9-10H2,2-8H3/t12-,13-,14-/m1/s1
InChIKeyRNFYIHOFVDHSHK-MGPQQGTHSA-N
MW282.50 g/mol
LogP4.43
Rot. Bonds4

About (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one

(2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one (PubChem CID 101390850) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one
PubChem CID101390850
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CC(=O)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-11(2)13-9-15(17)12(3)14(13)10-18-19(7,8)16(4,5)6/h12-14H,1,9-10H2,2-8H3/t12-,13-,14-/m1/s1
InChIKeyRNFYIHOFVDHSHK-MGPQQGTHSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
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 (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
The IUPAC name of (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one (CID 101390850) is (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one.
What is the SMILES notation for (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
The canonical SMILES for (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one is C=C(C)[C@H]1CC(=O)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
The InChIKey is RNFYIHOFVDHSHK-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11(2)13-9-15(17)12(3)14(13)10-18-19(7,8)16(4,5)6/h12-14H,1,9-10H2,2-8H3/t12-,13-,14-/m1/s1.
What are the key properties of (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
(2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one is sourced from PubChem (CID 101390850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).