[(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate

C20H38O4Si — CID 11111457

IUPAC[(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](C)[C@H](C(C)=O)CC[C@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-14-17(15(2)21)10-11-20(7,18(14)24-16(3)22)12-13-23-25(8,9)19(4,5)6/h14,17-18H,10-13H2,1-9H3/t14-,17+,18+,20+/m0/s1
InChIKeyDNSVWHXBTIKYMW-LMVHDODDSA-N
MW370.61 g/mol
LogP4.97
Rot. Bonds6

About [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate

[(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate (PubChem CID 11111457) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate
PubChem CID11111457
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name[(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](C)[C@H](C(C)=O)CC[C@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-14-17(15(2)21)10-11-20(7,18(14)24-16(3)22)12-13-23-25(8,9)19(4,5)6/h14,17-18H,10-13H2,1-9H3/t14-,17+,18+,20+/m0/s1
InChIKeyDNSVWHXBTIKYMW-LMVHDODDSA-N
XLogP4.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate 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

3-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-6-oxocyclohexyl]propanoic acid
CID 10947445
methyl 3-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-6-oxocyclohexyl]propanoate
CID 15299290
(4S,8aR,12S,12aR)-12-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione
CID 24764394
ethyl 2-[(1R,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-hydroxyhexyl]-3-oxocyclohexyl]acetate
CID 44244362
methyl (1R,2R,4R,4aS,4bR,8aR,10aS)-4-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-1,2-dimethyl-7-oxo-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
CID 102253836
1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate
CID 23550635
diethyl 5-[(1S,3aS,4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]nonanedioate
CID 57145949
(2,3,4,5,6-Pentamethylcyclohexyl) 11-[methoxy(dimethyl)silyl]undecanoate
CID 57731218
methyl (1R,4aS,4bR,6R,8R,8aS,10aS)-8-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-1,4a,6-trimethyl-10-oxo-3,4,4b,5,6,7,8,8a,9,10a-decahydro-2H-phenanthrene-1-carboxylate
CID 58601691
diethyl 5-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]nonanedioate
CID 59238357
Diethyl 5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]nonanedioate
CID 68556475
(R)-5-[(1R,4aR,5S,8aR)-5-(tert-Butyl-dimethyl-silanyloxy)-8a-methyl-decahydro-naphtalen-1-yl)-hexanoic acid ethyl ester
CID 70276507

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate?
The IUPAC name of [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate (CID 11111457) is [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate.
What is the SMILES notation for [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate?
The canonical SMILES for [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate is CC(=O)O[C@@H]1[C@@H](C)[C@H](C(C)=O)CC[C@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate?
The InChIKey is DNSVWHXBTIKYMW-LMVHDODDSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-14-17(15(2)21)10-11-20(7,18(14)24-16(3)22)12-13-23-25(8,9)19(4,5)6/h14,17-18H,10-13H2,1-9H3/t14-,17+,18+,20+/m0/s1.
What are the key properties of [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate?
[(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate has a molecular weight of 370.61 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5R,6S)-5-acetyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylcyclohexyl] acetate is sourced from PubChem (CID 11111457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).