methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate

C18H36O4Si — CID 10893326

IUPACmethyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC)C1
InChIInChI=1S/C18H36O4Si/c1-12(2)23(13(3)4,14(5)6)22-16-10-9-15(18(19)21-8)11-17(16)20-7/h12-17H,9-11H2,1-8H3/t15-,16-,17-/m1/s1
InChIKeyNNEPZJBVHWKWGO-BRWVUGGUSA-N
MW344.57 g/mol
LogP4.54
Rot. Bonds7

About methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate

methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate (PubChem CID 10893326) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
PubChem CID10893326
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Namemethyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC)C1
InChIInChI=1S/C18H36O4Si/c1-12(2)23(13(3)4,14(5)6)22-16-10-9-15(18(19)21-8)11-17(16)20-7/h12-17H,9-11H2,1-8H3/t15-,16-,17-/m1/s1
InChIKeyNNEPZJBVHWKWGO-BRWVUGGUSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140518568
(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 14720519
methyl (3R)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383532
methyl (3S)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383533
methyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 101383534
[(1S,2R,3R,4S)-4-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl] acetate
CID 101576191
[(1S,2R,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formyl-3-methoxycyclohexyl] acetate
CID 134836940
methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 135001185
Ethyl 4-acetyloxy-3-(2-acetyloxy-5-ethoxycarbonylcyclohexyl)oxycyclohexane-1-carboxylate
CID 232702
Methyl 1,3,4,5-tetrakis[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 631359
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
cis-dimethyl (1S,3R)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-dicarboxylate
CID 53967292

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate?
The IUPAC name of methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate (CID 10893326) is methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate?
The canonical SMILES for methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate is COC(=O)[C@@H]1CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC)C1.
What is the InChIKey of methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate?
The InChIKey is NNEPZJBVHWKWGO-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-12(2)23(13(3)4,14(5)6)22-16-10-9-15(18(19)21-8)11-17(16)20-7/h12-17H,9-11H2,1-8H3/t15-,16-,17-/m1/s1.
What are the key properties of methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate?
methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate has a molecular weight of 344.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 10893326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).