(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one

C15H30O4Si — CID 11034008

IUPAC(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one
SMILESCC1C(=O)O[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)C1O
InChIInChI=1S/C15H30O4Si/c1-11-12(16)15(5,19-13(11)17)9-8-10-18-20(6,7)14(2,3)4/h11-12,16H,8-10H2,1-7H3/t11?,12?,15-/m0/s1
InChIKeyJNSNXJHYPPJQRF-QOZQQMKHSA-N
MW302.49 g/mol
LogP3.10
Rot. Bonds5

About (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one

(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one (PubChem CID 11034008) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one
PubChem CID11034008
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one
SMILESCC1C(=O)O[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)C1O
InChIInChI=1S/C15H30O4Si/c1-11-12(16)15(5,19-13(11)17)9-8-10-18-20(6,7)14(2,3)4/h11-12,16H,8-10H2,1-7H3/t11?,12?,15-/m0/s1
InChIKeyJNSNXJHYPPJQRF-QOZQQMKHSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one
CID 23427905
(2R*,4S*)-2-((1'S*)-hydroxy-4'-methylpentyl)-4-(hydroxymethyl)butanolide
CID 38350557
Xylariolide A
CID 46832765
Xylariolide B
CID 46832766
Xylariolide C
CID 46832767
5-(Hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
CID 57509302
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S,2S)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 10935946
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 11809208
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
CID 23930375
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
CID 23872094
[(2S,3R)-3-hydroxy-2-methyl-3-[(2S)-2-methyloxolan-2-yl]propyl] hexanoate
CID 177747776
(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one?
The IUPAC name of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one (CID 11034008) is (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one?
The canonical SMILES for (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one is CC1C(=O)O[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)C1O.
What is the InChIKey of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one?
The InChIKey is JNSNXJHYPPJQRF-QOZQQMKHSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11-12(16)15(5,19-13(11)17)9-8-10-18-20(6,7)14(2,3)4/h11-12,16H,8-10H2,1-7H3/t11?,12?,15-/m0/s1.
What are the key properties of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one?
(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one has a molecular weight of 302.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 11034008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).