6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

C19H32O5Si — CID 15317843

IUPAC6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CO[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C19H32O5Si/c1-9-21-15(11-10-12-22-25(7,8)18(2,3)4)13-16-14-17(20)24-19(5,6)23-16/h9-11,14-15H,1,12-13H2,2-8H3/b11-10+/t15-/m1/s1
InChIKeyGKVVSYYYGCOLFO-AUECHBEKSA-N
MW368.55 g/mol
LogP4.68
Rot. Bonds8

About 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 15317843) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID15317843
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CO[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C19H32O5Si/c1-9-21-15(11-10-12-22-25(7,8)18(2,3)4)13-16-14-17(20)24-19(5,6)23-16/h9-11,14-15H,1,12-13H2,2-8H3/b11-10+/t15-/m1/s1
InChIKeyGKVVSYYYGCOLFO-AUECHBEKSA-N
XLogP4.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101380245
(2R)-2-[(E,3R)-3-(methoxymethoxy)-3-methyl-4-tri(propan-2-yl)silyloxybut-1-enyl]-2,3-dihydropyran-6-one
CID 101383048
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)-5,6-dihydropyran-2-one
CID 101520627
6-[(2R)-2-hydroxy-4-tri(propan-2-yl)silylbut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101695142
methyl (E)-4-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enoxycarbonyloxy-3,6-dihydro-2H-pyran-2-yl]-3-methylbut-2-enoate
CID 102146556
ethyl (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-enoate
CID 134842529
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134941017
6-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011565

Frequently Asked Questions

What is the IUPAC name of 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 15317843) is 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is C=CO[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is GKVVSYYYGCOLFO-AUECHBEKSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-9-21-15(11-10-12-22-25(7,8)18(2,3)4)13-16-14-17(20)24-19(5,6)23-16/h9-11,14-15H,1,12-13H2,2-8H3/b11-10+/t15-/m1/s1.
What are the key properties of 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 368.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 15317843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).