[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

C24H44O4Si — CID 153438113

IUPAC[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESC=C(C)C[C@H](CC[C@@H]1O[C@@H](COC(=O)C(C)(C)C)CC1=C)O[Si](CC)(CC)CC
InChIInChI=1S/C24H44O4Si/c1-10-29(11-2,12-3)28-20(15-18(4)5)13-14-22-19(6)16-21(27-22)17-26-23(25)24(7,8)9/h20-22H,4,6,10-17H2,1-3,5,7-9H3/t20-,21+,22-/m0/s1
InChIKeyIELBMONDXWSSMT-BDTNDASRSA-N
MW424.70 g/mol
LogP6.43
Rot. Bonds12

About [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 153438113) has the molecular formula C24H44O4Si and a molecular weight of 424.70 g/mol. Its IUPAC name is [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID153438113
Molecular FormulaC24H44O4Si
Molecular Weight424.70 g/mol
Exact Mass424.30
IUPAC Name[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESC=C(C)C[C@H](CC[C@@H]1O[C@@H](COC(=O)C(C)(C)C)CC1=C)O[Si](CC)(CC)CC
InChIInChI=1S/C24H44O4Si/c1-10-29(11-2,12-3)28-20(15-18(4)5)13-14-22-19(6)16-21(27-22)17-26-23(25)24(7,8)9/h20-22H,4,6,10-17H2,1-3,5,7-9H3/t20-,21+,22-/m0/s1
InChIKeyIELBMONDXWSSMT-BDTNDASRSA-N
XLogP6.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 59916228
(1R,4S,13S,14S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,12-dimethylidene-5,15-dioxabicyclo[12.1.0]pentadec-9-yn-6-one
CID 102325937
2-[5-[3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-methylideneoxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 22889256
3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 11049545
[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate
CID 11282371
[(2R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-3-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916205
[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 140867319
[(2R)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhepta-5,6-dienyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 153438125
[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-3-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane
CID 157206827
[(2R,5S)-4-methylidene-5-(5-methyl-3-triethylsilyloxyhepta-5,6-dienyl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 173655516
[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropyl] 2,2-dimethylpropanoate
CID 11690528
[(1S,2S,3R,4R,6R,7R,8S)-2,3,4,8-tetraacetyloxy-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylidenecyclooctyl] acetate
CID 25257969

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 153438113) is [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate is C=C(C)C[C@H](CC[C@@H]1O[C@@H](COC(=O)C(C)(C)C)CC1=C)O[Si](CC)(CC)CC.
What is the InChIKey of [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is IELBMONDXWSSMT-BDTNDASRSA-N. The full InChI is InChI=1S/C24H44O4Si/c1-10-29(11-2,12-3)28-20(15-18(4)5)13-14-22-19(6)16-21(27-22)17-26-23(25)24(7,8)9/h20-22H,4,6,10-17H2,1-3,5,7-9H3/t20-,21+,22-/m0/s1.
What are the key properties of [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 424.70 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-4-methylidene-5-[(3S)-5-methyl-3-triethylsilyloxyhex-5-enyl]oxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 153438113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).