diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate

C18H24O5 — CID 18970180

IUPACdiethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(OCc2ccccc2)C1
InChIInChI=1S/C18H24O5/c1-3-21-16(19)18(17(20)22-4-2)11-10-15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyDUDIGEJQZDJOPP-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.87
Rot. Bonds7

About diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate

diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate (PubChem CID 18970180) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
PubChem CID18970180
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Namediethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(OCc2ccccc2)C1
InChIInChI=1S/C18H24O5/c1-3-21-16(19)18(17(20)22-4-2)11-10-15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyDUDIGEJQZDJOPP-UHFFFAOYSA-N
XLogP2.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.87
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

ethyl 1-acetyl-3-(benzylamino)cyclopentane-1-carboxylate
CID 72761340
ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100854
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 163720538
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
ethyl (2S,4R)-2-(2-ethoxy-2-oxoethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 10735531
ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513801

Frequently Asked Questions

What is the IUPAC name of diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate (CID 18970180) is diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCC(OCc2ccccc2)C1.
What is the InChIKey of diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate?
The InChIKey is DUDIGEJQZDJOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-3-21-16(19)18(17(20)22-4-2)11-10-15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate?
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate has a molecular weight of 320.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 18970180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).