methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate

C17H24O3 — CID 68722884

IUPACmethoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCOCOC(=O)C1(Cc2ccccc2)C(C)(C)C1(C)C
InChIInChI=1S/C17H24O3/c1-15(2)16(3,4)17(15,14(18)20-12-19-5)11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyZJPMSWLLTOHZNF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.43
Rot. Bonds5

About methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate

methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 68722884) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID68722884
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCOCOC(=O)C1(Cc2ccccc2)C(C)(C)C1(C)C
InChIInChI=1S/C17H24O3/c1-15(2)16(3,4)17(15,14(18)20-12-19-5)11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyZJPMSWLLTOHZNF-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
methoxymethyl acetate;1-phenylethanone
CID 91080565
benzyl 2-(methoxymethyl)oxirane-2-carboxylate
CID 134309660
[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
CID 23119083
ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate
CID 166441676
5-benzyl-5-(methoxymethyl)tetrazole
CID 91116047
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
CID 163454781
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
methoxymethylbenzene;methyl acetate
CID 54330728

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 68722884) is methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate is COCOC(=O)C1(Cc2ccccc2)C(C)(C)C1(C)C.
What is the InChIKey of methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is ZJPMSWLLTOHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-15(2)16(3,4)17(15,14(18)20-12-19-5)11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3.
What are the key properties of methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate?
methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 1-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 68722884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).