(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one

C20H40O4Si — CID 102261254

IUPAC(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one
SMILESC[C@@H](CCCC(=O)CCC[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-16(24-25(7,8)19(2,3)4)11-9-12-17(21)13-10-14-18-15-22-20(5,6)23-18/h16,18H,9-15H2,1-8H3/t16-,18+/m0/s1
InChIKeyQQHUAHNDZZNBOY-FUHWJXTLSA-N
MW372.62 g/mol
LogP5.46
Rot. Bonds10

About (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one

(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one (PubChem CID 102261254) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one.

Molecular Properties

Compound Name(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one
PubChem CID102261254
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one
SMILESC[C@@H](CCCC(=O)CCC[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-16(24-25(7,8)19(2,3)4)11-9-12-17(21)13-10-14-18-15-22-20(5,6)23-18/h16,18H,9-15H2,1-8H3/t16-,18+/m0/s1
InChIKeyQQHUAHNDZZNBOY-FUHWJXTLSA-N
XLogP5.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.46
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

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propanoyl-1,3-dioxolan-4-yl]propan-1-one
CID 162402950
8-t-Butyldimethylsilyloxy-1-(2,2-Dimethyl-1,3-Dioxolan-4-yl)-2-Hydroxyoctan-4-One
CID 10317308
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
CID 153499438
7-[Tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)heptan-3-one
CID 173715717
8-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-diethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
CID 10386422
(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
CID 11072176
(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5S)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
CID 11135851
(6R)-6-[(4R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 11582113
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)nonadecanal
CID 11762479
4-[(4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 11961781
(3aS,4R,9R,9aS)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,7,8,9,9a-hexahydro-3aH-cycloocta[d][1,3]dioxol-6-one
CID 12186446
(3aS,4S,9S,9aS)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,7,8,9,9a-hexahydro-3aH-cycloocta[d][1,3]dioxol-6-one
CID 12186447

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one?
The IUPAC name of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one (CID 102261254) is (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one.
What is the SMILES notation for (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one?
The canonical SMILES for (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one is C[C@@H](CCCC(=O)CCC[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one?
The InChIKey is QQHUAHNDZZNBOY-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-16(24-25(7,8)19(2,3)4)11-9-12-17(21)13-10-14-18-15-22-20(5,6)23-18/h16,18H,9-15H2,1-8H3/t16-,18+/m0/s1.
What are the key properties of (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one?
(8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one has a molecular weight of 372.62 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-4-one is sourced from PubChem (CID 102261254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).