(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate

C19H37O4Si- — CID 134830498

IUPAC(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate
SMILESC[C@@H]1C(CC(=O)OC(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[O-]
InChIInChI=1S/C19H37O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h13-16H,10-12H2,1-9H3/q-1/t13-,14?,15-,16-/m1/s1
InChIKeyIPNREYKBDSSOIW-QGAIPKOMSA-N
MW357.59 g/mol
LogP3.88
Rot. Bonds4

About (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate

(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate (PubChem CID 134830498) has the molecular formula C19H37O4Si- and a molecular weight of 357.59 g/mol. Its IUPAC name is (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate.

Molecular Properties

Compound Name(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate
PubChem CID134830498
Molecular FormulaC19H37O4Si-
Molecular Weight357.59 g/mol
Exact Mass357.25
IUPAC Name(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate
SMILESC[C@@H]1C(CC(=O)OC(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[O-]
InChIInChI=1S/C19H37O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h13-16H,10-12H2,1-9H3/q-1/t13-,14?,15-,16-/m1/s1
InChIKeyIPNREYKBDSSOIW-QGAIPKOMSA-N
XLogP3.88
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate 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 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341340
[(1S,2R,3R,4S)-4-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl] acetate
CID 101576191
tert-butyl 2-[(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylcyclohexyl]acetate
CID 134830497
methyl 2-[(1S,2S,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylcyclohexyl]acetate
CID 11301541
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
2-[3-Acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 18471526
2-[(1S,3R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 21335001
2-[(1S,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 21335003
2-[(1S,3R,5S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 21335005
tert-Butyl 4-[(tert-Butyldimethylsilyl)oxy]cyclohexane-1-carboxylate
CID 58231002
Ethyl 4-triisopropylsilyloxycyclohexylcarboxylate
CID 58512387
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoate
CID 66888031

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate?
The IUPAC name of (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate (CID 134830498) is (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate.
What is the SMILES notation for (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate?
The canonical SMILES for (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate is C[C@@H]1C(CC(=O)OC(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[O-].
What is the InChIKey of (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate?
The InChIKey is IPNREYKBDSSOIW-QGAIPKOMSA-N. The full InChI is InChI=1S/C19H37O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h13-16H,10-12H2,1-9H3/q-1/t13-,14?,15-,16-/m1/s1.
What are the key properties of (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate?
(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate has a molecular weight of 357.59 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexan-1-olate is sourced from PubChem (CID 134830498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).