1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one

C17H34O4Si — CID 10980440

IUPAC1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(C)[Si](OCCC(=O)C[C@@H]1CCOCO1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-13(2)22(14(3)4,15(5)6)21-10-7-16(18)11-17-8-9-19-12-20-17/h13-15,17H,7-12H2,1-6H3/t17-/m0/s1
InChIKeyKODBHUJSMAHZGC-KRWDZBQOSA-N
MW330.54 g/mol
LogP4.29
Rot. Bonds9

About 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one

1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one (PubChem CID 10980440) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one.

Molecular Properties

Compound Name1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
PubChem CID10980440
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(C)[Si](OCCC(=O)C[C@@H]1CCOCO1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-13(2)22(14(3)4,15(5)6)21-10-7-16(18)11-17-8-9-19-12-20-17/h13-15,17H,7-12H2,1-6H3/t17-/m0/s1
InChIKeyKODBHUJSMAHZGC-KRWDZBQOSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
(2R,6S,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10544284
methyl 2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 10593720
(2R,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10806199
1-[(4S)-2-methyl-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
CID 11002455
2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
CID 11200031
2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 11461255
(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal
CID 101155909
2-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
CID 101155912
(2S,6S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 101708221
2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde
CID 102011572

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
The IUPAC name of 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one (CID 10980440) is 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one.
What is the SMILES notation for 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
The canonical SMILES for 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one is CC(C)[Si](OCCC(=O)C[C@@H]1CCOCO1)(C(C)C)C(C)C.
What is the InChIKey of 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
The InChIKey is KODBHUJSMAHZGC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-13(2)22(14(3)4,15(5)6)21-10-7-16(18)11-17-8-9-19-12-20-17/h13-15,17H,7-12H2,1-6H3/t17-/m0/s1.
What are the key properties of 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one has a molecular weight of 330.54 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one is sourced from PubChem (CID 10980440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).