(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one

C17H32O3Si — CID 11392822

IUPAC(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C17H32O3Si/c1-9-15(16-10-14(8)17(18)19-16)20-21(11(2)3,12(4)5)13(6)7/h9,11-16H,1,10H2,2-8H3/t14-,15+,16+/m1/s1
InChIKeyPJYGFONLHPQAKX-PMPSAXMXSA-N
MW312.53 g/mol
LogP4.68
Rot. Bonds7

About (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one

(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one (PubChem CID 11392822) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one
PubChem CID11392822
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C17H32O3Si/c1-9-15(16-10-14(8)17(18)19-16)20-21(11(2)3,12(4)5)13(6)7/h9,11-16H,1,10H2,2-8H3/t14-,15+,16+/m1/s1
InChIKeyPJYGFONLHPQAKX-PMPSAXMXSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.68
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'}

Analyze (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one with MolForge

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Related Compounds

3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
CID 21062054
(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
CID 10012657
N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
CID 59872962
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 13081518
(3S,5R)-5-[(1R)-1,3-dihydroxypropyl]-3-methyloxolan-2-one
CID 130918436
[(1S,3R)-3-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]hept-6-enyl]carbamic acid
CID 154193909
3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
5-hydroxy-3-methyloxolan-2-one
CID 12794198
tert-butyl N-[(1S)-2-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042857
(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one
CID 11846915

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one?
The IUPAC name of (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one (CID 11392822) is (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one.
What is the SMILES notation for (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one?
The canonical SMILES for (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one?
The InChIKey is PJYGFONLHPQAKX-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-15(16-10-14(8)17(18)19-16)20-21(11(2)3,12(4)5)13(6)7/h9,11-16H,1,10H2,2-8H3/t14-,15+,16+/m1/s1.
What are the key properties of (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one?
(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one has a molecular weight of 312.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one is sourced from PubChem (CID 11392822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).