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

C19H34O5Si — CID 25033608

IUPAC6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC/C=C/C(CC(O)CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-9-10-15(24-25(7,8)18(2,3)4)11-14(20)12-16-13-17(21)23-19(5,6)22-16/h9-10,13-15,20H,11-12H2,1-8H3/b10-9+
InChIKeyLXCNCGUPSBHEME-MDZDMXLPSA-N
MW370.56 g/mol
LogP4.29
Rot. Bonds7

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

6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 25033608) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID25033608
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC/C=C/C(CC(O)CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-9-10-15(24-25(7,8)18(2,3)4)11-14(20)12-16-13-17(21)23-19(5,6)22-16/h9-10,13-15,20H,11-12H2,1-8H3/b10-9+
InChIKeyLXCNCGUPSBHEME-MDZDMXLPSA-N
XLogP4.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
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

ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 24756275
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)butanoic acid
CID 24776625
methyl (E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-[(4S,5S)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-enoate
CID 46189514
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
[(E,2R)-6-ethoxy-6-oxohex-4-en-2-yl] (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 134830610
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
ethyl (Z,6R)-6-[(2R,3R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 174031479
6-[(2S,3S,4R,5E,7S,8S,9E)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxy-3,7,9-trimethylundeca-5,9-dienyl]-4-methoxypyran-2-one
CID 10326166
6-[(3S,4R,5E,7S,8S,9E)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxy-3,7,9-trimethylundeca-5,9-dienyl]-4-(oxan-2-yloxy)pyran-2-one
CID 10394651
ethyl (E,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyoct-2-enoate
CID 10881637
6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11199485

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 25033608) is 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one is C/C=C/C(CC(O)CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is LXCNCGUPSBHEME-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-9-10-15(24-25(7,8)18(2,3)4)11-14(20)12-16-13-17(21)23-19(5,6)22-16/h9-10,13-15,20H,11-12H2,1-8H3/b10-9+.
What are the key properties of 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 370.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 25033608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).