(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one

C14H26O3Si — CID 134966756

IUPAC(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one
SMILESC=CC[C@]1(O[Si](C)(C)C)CC(=O)O[C@@H](CC)[C@@H]1C
InChIInChI=1S/C14H26O3Si/c1-7-9-14(17-18(4,5)6)10-13(15)16-12(8-2)11(14)3/h7,11-12H,1,8-10H2,2-6H3/t11-,12-,14-/m0/s1
InChIKeyKRLIRUVFEHABLH-OBJOEFQTSA-N
MW270.44 g/mol
LogP3.51
Rot. Bonds5

About (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one

(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one (PubChem CID 134966756) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one
PubChem CID134966756
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one
SMILESC=CC[C@]1(O[Si](C)(C)C)CC(=O)O[C@@H](CC)[C@@H]1C
InChIInChI=1S/C14H26O3Si/c1-7-9-14(17-18(4,5)6)10-13(15)16-12(8-2)11(14)3/h7,11-12H,1,8-10H2,2-6H3/t11-,12-,14-/m0/s1
InChIKeyKRLIRUVFEHABLH-OBJOEFQTSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
(4S,5S,6S)-6-ethyl-4-hydroxy-5-methyl-4-prop-2-enyloxan-2-one
CID 71503716
(4R,5S,6S)-6-ethyl-4-hydroxy-5-methyl-4-prop-2-enyloxan-2-one
CID 71503717
(4S,6S)-6-ethyl-4-hydroxy-5-methyl-4-prop-2-enyloxan-2-one
CID 121299647
(4S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one
CID 173632364
Ethyl 2-prop-2-enyl-2-trimethylsilyloxycyclododecane-1-carboxylate
CID 11014077
(3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11185625
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-5-methyloxan-2-yl]propanoate
CID 11475450
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one
CID 11701932
ethyl 2-[(2S,3R)-3-methyl-2-prop-2-enyloxan-2-yl]acetate
CID 23239461
ethyl 2-[(2S,3S)-3-methyl-2-prop-2-enyloxan-2-yl]acetate
CID 23239462
[(3R,4R)-4-methylhex-5-en-3-yl] (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-oxoheptanoate
CID 24807199

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one?
The IUPAC name of (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one (CID 134966756) is (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one.
What is the SMILES notation for (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one?
The canonical SMILES for (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one is C=CC[C@]1(O[Si](C)(C)C)CC(=O)O[C@@H](CC)[C@@H]1C.
What is the InChIKey of (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one?
The InChIKey is KRLIRUVFEHABLH-OBJOEFQTSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-9-14(17-18(4,5)6)10-13(15)16-12(8-2)11(14)3/h7,11-12H,1,8-10H2,2-6H3/t11-,12-,14-/m0/s1.
What are the key properties of (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one?
(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one is sourced from PubChem (CID 134966756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).