6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one

C19H36O5Si — CID 71497611

IUPAC6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC[C@H](CCCO[Si](C)(C)C(C)(C)C)C(O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C19H36O5Si/c1-14(10-9-11-22-25(7,8)18(2,3)4)16(20)12-15-13-17(21)24-19(5,6)23-15/h13-14,16,20H,9-12H2,1-8H3/t14-,16?/m1/s1
InChIKeyNDYHRWPFLFDBJZ-IURRXHLWSA-N
MW372.58 g/mol
LogP4.37
Rot. Bonds8

About 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 71497611) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID71497611
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC[C@H](CCCO[Si](C)(C)C(C)(C)C)C(O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C19H36O5Si/c1-14(10-9-11-22-25(7,8)18(2,3)4)16(20)12-15-13-17(21)24-19(5,6)23-15/h13-14,16,20H,9-12H2,1-8H3/t14-,16?/m1/s1
InChIKeyNDYHRWPFLFDBJZ-IURRXHLWSA-N
XLogP4.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Related Compounds

(2S,3S)-2-[(2S,5S,6R,7S,8Z,10Z,12E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6-methyltetradeca-8,10,12-trien-2-yl]-3-methyl-2,3-dihydropyran-6-one
CID 15965829
methyl (E,4R,5R,6S,7R,8R)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-4,6,8-trimethylnon-2-enoate
CID 134916360
6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134941017
methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-4,6,8,10-tetramethyldodec-2-enoate
CID 58762123
6-(2-Cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 71036464
Methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclohexylidene]acetate
CID 139633710
(1S,2R,3E,5Z,9S,10R,11R,14S,16S,17R,18S,19Z,21S)-11-[tert-butyl(dimethyl)silyl]oxy-9-[(2S,3Z)-hexa-3,5-dien-2-yl]-17-hydroxy-2,10,14,16,18,23,23-heptamethyl-8,22,24-trioxabicyclo[19.3.1]pentacosa-3,5,19-trien-7-one
CID 173565623
6-[(E,2R,10S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-7,10-dihydroxy-4-methoxy-6,8,10-trimethyltridec-8-en-2-yl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 173631275
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
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,6R)-2-[(2S,3S)-4-hydroxy-2-methoxy-3-methylbutyl]-3,6-dihydro-2H-pyran-6-yl]-2-methylhex-2-enoate
CID 10885188
methyl (E,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-3,5,7-trimethyloct-2-enoate
CID 10914923

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 71497611) is 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one is C[C@H](CCCO[Si](C)(C)C(C)(C)C)C(O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is NDYHRWPFLFDBJZ-IURRXHLWSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-14(10-9-11-22-25(7,8)18(2,3)4)16(20)12-15-13-17(21)24-19(5,6)23-15/h13-14,16,20H,9-12H2,1-8H3/t14-,16?/m1/s1.
What are the key properties of 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 372.58 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 71497611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).