12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one

C19H36O5Si — CID 102286151

IUPAC12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CC(O)C2OC2C1
InChIInChI=1S/C19H36O5Si/c1-19(2,3)25(4,5)24-14-10-8-6-7-9-11-22-17(21)13-15(20)18-16(12-14)23-18/h14-16,18,20H,6-13H2,1-5H3
InChIKeyZVNXLPCAMYOATG-UHFFFAOYSA-N
MW372.58 g/mol
LogP3.79
Rot. Bonds2

About 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one

12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one (PubChem CID 102286151) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one
PubChem CID102286151
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CC(O)C2OC2C1
InChIInChI=1S/C19H36O5Si/c1-19(2,3)25(4,5)24-14-10-8-6-7-9-11-22-17(21)13-15(20)18-16(12-14)23-18/h14-16,18,20H,6-13H2,1-5H3
InChIKeyZVNXLPCAMYOATG-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(5S, 6R) Methyl 5,6-di(tert-butyldimethylsiloxy)-7-hydroxyheptanoate
CID 86598272
(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 11485711
diethyl (2S,3S,4S,5S,6S,7S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,6,7-tetrahydroxyoctanedioate
CID 14737948
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079
(2r,3s,6s)-Ethyl 6-(t-butyldimethylsilyloxy)-2,3-dihydroxyheptanoate
CID 129843402
tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
CID 134879057
methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate
CID 134880975
methyl (3R,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930704
methyl (3S,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930705
ethyl 8-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-2-hydroxy-1-(1-methylcyclopropyl)oxyethyl]oxolan-2-yl]octanoate
CID 138978688

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one (CID 102286151) is 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one is CC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CC(O)C2OC2C1.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one?
The InChIKey is ZVNXLPCAMYOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-19(2,3)25(4,5)24-14-10-8-6-7-9-11-22-17(21)13-15(20)18-16(12-14)23-18/h14-16,18,20H,6-13H2,1-5H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one?
12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one has a molecular weight of 372.58 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-5,15-dioxabicyclo[12.1.0]pentadecan-4-one is sourced from PubChem (CID 102286151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).