ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate

C20H28O3 — CID 141100854

IUPACethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C2CCCC2)CCCC1OCc1ccccc1
InChIInChI=1S/C20H28O3/c1-2-22-19(21)20(17-11-6-7-12-17)14-8-13-18(20)23-15-16-9-4-3-5-10-16/h3-5,9-10,17-18H,2,6-8,11-15H2,1H3
InChIKeyRJBHKAUYDHNVHH-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.50
Rot. Bonds6

About ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate

ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate (PubChem CID 141100854) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
PubChem CID141100854
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Nameethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C2CCCC2)CCCC1OCc1ccccc1
InChIInChI=1S/C20H28O3/c1-2-22-19(21)20(17-11-6-7-12-17)14-8-13-18(20)23-15-16-9-4-3-5-10-16/h3-5,9-10,17-18H,2,6-8,11-15H2,1H3
InChIKeyRJBHKAUYDHNVHH-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100936
2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate
CID 141100914
2-methylpropyl 2-phenylmethoxy-1-propylcyclopentane-1-carboxylate
CID 141100848
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
CID 141100977
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
benzyl 2-ethoxy-1,3,3-trimethylcyclohexane-1-carboxylate
CID 146647630
ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate
CID 69201738

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate (CID 141100854) is ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate is CCOC(=O)C1(C2CCCC2)CCCC1OCc1ccccc1.
What is the InChIKey of ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
The InChIKey is RJBHKAUYDHNVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-2-22-19(21)20(17-11-6-7-12-17)14-8-13-18(20)23-15-16-9-4-3-5-10-16/h3-5,9-10,17-18H,2,6-8,11-15H2,1H3.
What are the key properties of ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate is sourced from PubChem (CID 141100854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).