methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate

C19H36O5Si — CID 46180491

IUPACmethyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
SMILESCOC(=O)C/C=C/CC1(CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C19H36O5Si/c1-16(24-25(6,7)18(2,3)4)11-13-19(22-14-15-23-19)12-9-8-10-17(20)21-5/h8-9,16H,10-15H2,1-7H3/b9-8+/t16-/m1/s1
InChIKeyHJSDOHCHFCHZOG-ROJDOSBLSA-N
MW372.58 g/mol
LogP4.43
Rot. Bonds9

About methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate

methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate (PubChem CID 46180491) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
PubChem CID46180491
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Namemethyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
SMILESCOC(=O)C/C=C/CC1(CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C19H36O5Si/c1-16(24-25(6,7)18(2,3)4)11-13-19(22-14-15-23-19)12-9-8-10-17(20)21-5/h8-9,16H,10-15H2,1-7H3/b9-8+/t16-/m1/s1
InChIKeyHJSDOHCHFCHZOG-ROJDOSBLSA-N
XLogP4.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.43
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'}

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Related Compounds

[(E,2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44515760
(3aS,5R,9S,10E,11aS)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-propyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-d]oxecin-7-one
CID 135022646
(3aR,4R,9S,10E,11aS)-9-[tert-butyl(dimethyl)silyl]oxy-4-heptyl-2,2-dimethyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one
CID 135023110
tert-butyl-dimethyl-[(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-yl]oxysilane
CID 135039837
(3aS,5R,9S,10E,11aS)-9-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-dimethyl-5-propyl-3a,4,5,8,9,11a-hexahydro-7H-[1,3]dioxolo[4,5-d]oxecin-7-one
CID 165365157
methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate
CID 10481862
methyl (E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-4-enoate
CID 10621026
[(1E,3S,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undeca-1,4-dien-3-yl] acetate
CID 10646784
[(E,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-4-enyl] acetate
CID 10693158
methyl (E,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-4-enoate
CID 10716006
[(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-4-enyl] acetate
CID 10716731
[(1R)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] acetate
CID 11222860

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate?
The IUPAC name of methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate (CID 46180491) is methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate.
What is the SMILES notation for methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate?
The canonical SMILES for methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate is COC(=O)C/C=C/CC1(CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCCO1.
What is the InChIKey of methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate?
The InChIKey is HJSDOHCHFCHZOG-ROJDOSBLSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-16(24-25(6,7)18(2,3)4)11-13-19(22-14-15-23-19)12-9-8-10-17(20)21-5/h8-9,16H,10-15H2,1-7H3/b9-8+/t16-/m1/s1.
What are the key properties of methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate?
methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate has a molecular weight of 372.58 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate is sourced from PubChem (CID 46180491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).