diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate

C17H22O5 — CID 10946695

IUPACdiethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@H]1COCc1ccccc1
InChIInChI=1S/C17H22O5/c1-3-21-15(18)17(16(19)22-4-2)10-14(17)12-20-11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/t14-/m0/s1
InChIKeyDWNGVPBXOHEETK-AWEZNQCLSA-N
MW306.36 g/mol
LogP2.34
Rot. Bonds8

About diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate

diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate (PubChem CID 10946695) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
PubChem CID10946695
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Namediethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@H]1COCc1ccccc1
InChIInChI=1S/C17H22O5/c1-3-21-15(18)17(16(19)22-4-2)10-14(17)12-20-11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/t14-/m0/s1
InChIKeyDWNGVPBXOHEETK-AWEZNQCLSA-N
XLogP2.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 90322670
carbon dioxide;cis-ethyl (1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 161093446
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
ethyl 2-[[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetate
CID 102115642
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
4-ethoxycarbonyl-4-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 154035201
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate (CID 10946695) is diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C[C@H]1COCc1ccccc1.
What is the InChIKey of diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is DWNGVPBXOHEETK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22O5/c1-3-21-15(18)17(16(19)22-4-2)10-14(17)12-20-11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate?
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 10946695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).