(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one

C15H28O3Si — CID 11208377

IUPAC(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)C[C@@H]1CCC(=O)O1
InChIInChI=1S/C15H28O3Si/c1-12(11-13-7-8-14(16)18-13)9-10-17-19(5,6)15(2,3)4/h9,13H,7-8,10-11H2,1-6H3/b12-9+/t13-/m0/s1
InChIKeyYYWGYRVXUDSEKA-SRXBQZRASA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds5

About (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one

(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one (PubChem CID 11208377) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one
PubChem CID11208377
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)C[C@@H]1CCC(=O)O1
InChIInChI=1S/C15H28O3Si/c1-12(11-13-7-8-14(16)18-13)9-10-17-19(5,6)15(2,3)4/h9,13H,7-8,10-11H2,1-6H3/b12-9+/t13-/m0/s1
InChIKeyYYWGYRVXUDSEKA-SRXBQZRASA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
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

(5S)-5-(4-methylpent-3-enyl)oxolan-2-one
CID 163195250
(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
CID 11846083
ethyl (2Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-6-enoate
CID 134962603
(3aR,6aS)-5-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11022321
(R)-2-ethoxycarbonylmethyl-4-triethylsilyloxy-2-cyclopenten-1-one
CID 24886194
4-[3-[Tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
CID 54280335
Methyl 3-[5-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]propanoate
CID 57602872
5-[(3Z,6Z,9Z,11E,13S,15Z)-13-[tert-butyl(dimethyl)silyl]oxy-1-iodooctadeca-3,6,9,11,15-pentaenyl]oxolan-2-one
CID 59372895
Ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate
CID 66917280
5-[13-[Tert-butyl(dimethyl)silyl]oxy-1-iodooctadeca-3,6,9,11,15-pentaenyl]oxolan-2-one
CID 72273539
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexene-1-carboxylate
CID 89597280
2-(3-Triethylsilyloxycyclopenten-1-yl)acetic acid
CID 141134647

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one (CID 11208377) is (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one is C/C(=C\CO[Si](C)(C)C(C)(C)C)C[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one?
The InChIKey is YYWGYRVXUDSEKA-SRXBQZRASA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(11-13-7-8-14(16)18-13)9-10-17-19(5,6)15(2,3)4/h9,13H,7-8,10-11H2,1-6H3/b12-9+/t13-/m0/s1.
What are the key properties of (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one?
(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one has a molecular weight of 284.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one is sourced from PubChem (CID 11208377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).