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

C19H32O5Si — CID 11199485

IUPAC6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC#CC[C@H](CC(O)CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O5Si/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/h1,13-15,20H,10-12H2,2-8H3/t14?,15-/m1/s1
InChIKeyOXUDRAKJXQPMLN-YSSOQSIOSA-N
MW368.55 g/mol
LogP3.73
Rot. Bonds7

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

6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11199485) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11199485
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC#CC[C@H](CC(O)CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O5Si/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/h1,13-15,20H,10-12H2,2-8H3/t14?,15-/m1/s1
InChIKeyOXUDRAKJXQPMLN-YSSOQSIOSA-N
XLogP3.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134941017
6-[(2R,4R)-2,4-dihydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11172827
(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
CID 11241916
(2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
CID 11314225
6-[(2R,4R)-7-bromo-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11410415
ethyl (E,5S,7R,9R)-7-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-9-methoxy-5-(methoxymethoxy)undec-2-enoate
CID 24812897
6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 25033608
[(2E,3S,5S)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-hydroxy-10-methyl-6-methylideneundec-9-en-7-ynyl] acetate
CID 44472337
6-[(2R,4S,7R,8S,10R)-2,4-dihydroxy-7,10-dimethyl-8,10-bis(triethylsilyloxy)-14-tri(propan-2-yl)silyltetradec-13-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 56964602
6-[(2R,4S,7R,8S,10R)-10-hydroxy-7,10-dimethyl-2,4,8-tris(triethylsilyloxy)-14-tri(propan-2-yl)silyltetradec-13-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 56964704
6-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 71497611
6-[(3S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-methoxy-2,6-dimethylheptan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 71745593

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 11199485) is 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is C#CC[C@H](CC(O)CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is OXUDRAKJXQPMLN-YSSOQSIOSA-N. The full InChI is InChI=1S/C19H32O5Si/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/h1,13-15,20H,10-12H2,2-8H3/t14?,15-/m1/s1.
What are the key properties of 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 368.55 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11199485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).