(6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione

C17H34O4Si — CID 11024025

IUPAC(6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione
SMILESCCC(=O)C(C)C(=O)[C@H](C)[C@H](CC)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-15(18)13(3)17(19)14(4)16(9-2)21-12-20-10-11-22(5,6)7/h13-14,16H,8-12H2,1-7H3/t13?,14-,16+/m1/s1
InChIKeyRIGXIXRBPASYKW-VVRWDSKXSA-N
MW330.54 g/mol
LogP3.91
Rot. Bonds12

About (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione

(6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione (PubChem CID 11024025) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione.

Molecular Properties

Compound Name(6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione
PubChem CID11024025
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione
SMILESCCC(=O)C(C)C(=O)[C@H](C)[C@H](CC)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-15(18)13(3)17(19)14(4)16(9-2)21-12-20-10-11-22(5,6)7/h13-14,16H,8-12H2,1-7H3/t13?,14-,16+/m1/s1
InChIKeyRIGXIXRBPASYKW-VVRWDSKXSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]propan-2-one
CID 102522910
1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one
CID 134969675
2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate
CID 134969677
3-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]butan-2-one
CID 134969856
cis-(3R,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-(1-methoxypropoxy)cyclohexan-1-one
CID 89258133
Trimethylsilyl 2-ethyl-6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoate
CID 175579113
(2S,3S,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyl-3-triethylsilyloxycycloheptan-1-one
CID 10020412
(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial
CID 10089944
(4R,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 10592730
methyl (6S)-2-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoyl]-6-methyldocosanoate
CID 10952207
(6S,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione
CID 10969594
methyl (6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-oxooctanoate
CID 11012553

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione?
The IUPAC name of (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione (CID 11024025) is (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione.
What is the SMILES notation for (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione?
The canonical SMILES for (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione is CCC(=O)C(C)C(=O)[C@H](C)[C@H](CC)OCOCC[Si](C)(C)C.
What is the InChIKey of (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione?
The InChIKey is RIGXIXRBPASYKW-VVRWDSKXSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-15(18)13(3)17(19)14(4)16(9-2)21-12-20-10-11-22(5,6)7/h13-14,16H,8-12H2,1-7H3/t13?,14-,16+/m1/s1.
What are the key properties of (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione?
(6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione has a molecular weight of 330.54 g/mol, XLogP of 3.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-4,6-dimethyl-7-(2-trimethylsilylethoxymethoxy)nonane-3,5-dione is sourced from PubChem (CID 11024025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).