methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C20H38O5Si — CID 11143542

IUPACmethyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESC=CC[C@H](C[C@@H]1C[C@H](CC(=O)OC)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-10-11-15(25-26(8,9)19(2,3)4)12-16-13-17(14-18(21)22-7)24-20(5,6)23-16/h10,15-17H,1,11-14H2,2-9H3/t15-,16-,17-/m1/s1
InChIKeyUDENRNCONRAWNI-BRWVUGGUSA-N
MW386.61 g/mol
LogP4.82
Rot. Bonds8

About methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 11143542) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID11143542
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESC=CC[C@H](C[C@@H]1C[C@H](CC(=O)OC)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-10-11-15(25-26(8,9)19(2,3)4)12-16-13-17(14-18(21)22-7)24-20(5,6)23-16/h10,15-17H,1,11-14H2,2-9H3/t15-,16-,17-/m1/s1
InChIKeyUDENRNCONRAWNI-BRWVUGGUSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate with MolForge

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Related Compounds

(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S,6R)-2,2,5-trimethyl-6-[(2S)-pent-4-en-2-yl]-1,3-dioxan-4-yl]pentanoic acid
CID 44254187
[(2S)-1-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-3,3-dimethyl-4-oxohept-6-en-2-yl] acetate
CID 56590301
(1S,5R,7S)-7-((S)-2-((Triethylsilyl)oxy)pent-4-en-1yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 71489709
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11783612
ethyl (5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11015964
Ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11091763
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 58782240
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 91024847
Methyl 2-[7-[3-[tert-butyl(dimethyl)silyl]oxy-3-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)propyl]-6,10-dioxaspiro[4.5]decan-9-yl]acetate
CID 173756450
Methyl 2-[7-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxohept-6-enyl]-6,10-dioxaspiro[4.5]decan-9-yl]acetate
CID 173836950
methyl 2-[(9R)-7-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxohept-6-enyl]-6,10-dioxaspiro[4.5]decan-9-yl]acetate
CID 173949198
2-[(4S,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate
CID 10927500

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 11143542) is methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is C=CC[C@H](C[C@@H]1C[C@H](CC(=O)OC)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is UDENRNCONRAWNI-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-10-11-15(25-26(8,9)19(2,3)4)12-16-13-17(14-18(21)22-7)24-20(5,6)23-16/h10,15-17H,1,11-14H2,2-9H3/t15-,16-,17-/m1/s1.
What are the key properties of methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 386.61 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6S)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 11143542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).