(4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one

C21H40O4Si — CID 10738825

IUPAC(4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
SMILESCC(C)CCCCC(=O)C1C(=O)OC[C@H]1CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C21H40O4Si/c1-15(2)11-9-10-12-18(22)19-17(13-24-20(19)23)14-25-26(7,8)21(5,6)16(3)4/h15-17,19H,9-14H2,1-8H3/t17-,19?/m0/s1
InChIKeyGJXWZGLKMCZKQL-KKFHFHRHSA-N
MW384.63 g/mol
LogP5.22
Rot. Bonds11

About (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one

(4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one (PubChem CID 10738825) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
PubChem CID10738825
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name(4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
SMILESCC(C)CCCCC(=O)C1C(=O)OC[C@H]1CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C21H40O4Si/c1-15(2)11-9-10-12-18(22)19-17(13-24-20(19)23)14-25-26(7,8)21(5,6)16(3)4/h15-17,19H,9-14H2,1-8H3/t17-,19?/m0/s1
InChIKeyGJXWZGLKMCZKQL-KKFHFHRHSA-N
XLogP5.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.22
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'}

Analyze (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate
CID 14297154
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycarbonyl-2-methylnonanoic acid
CID 15605725
(1S,6S,9R,13R,14S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,11,15-trione
CID 134939081
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686
methyl (2S,3S,4S)-4-methyl-5-oxo-2-(14-oxopentadecyl)oxolane-3-carboxylate
CID 10667620
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
CID 11348848
Diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
CID 19904701
Methyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
CID 56991414
Ethyl 2-acetyl-8-(tert-butyldimethylsilyloxy)-2-methyloctanoate
CID 58165753
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate
CID 70021597
Diethyl 2-(8-triethylsilyloctyl)propanedioate
CID 86200662

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
The IUPAC name of (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one (CID 10738825) is (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one.
What is the SMILES notation for (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
The canonical SMILES for (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one is CC(C)CCCCC(=O)C1C(=O)OC[C@H]1CO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
The InChIKey is GJXWZGLKMCZKQL-KKFHFHRHSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-15(2)11-9-10-12-18(22)19-17(13-24-20(19)23)14-25-26(7,8)21(5,6)16(3)4/h15-17,19H,9-14H2,1-8H3/t17-,19?/m0/s1.
What are the key properties of (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
(4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one has a molecular weight of 384.63 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one is sourced from PubChem (CID 10738825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).