2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate

C22H32O3 — CID 141100936

IUPAC2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
SMILESCC(C)COC(=O)C1(C2CCCC2)CCCC1OCc1ccccc1
InChIInChI=1S/C22H32O3/c1-17(2)15-25-21(23)22(19-11-6-7-12-19)14-8-13-20(22)24-16-18-9-4-3-5-10-18/h3-5,9-10,17,19-20H,6-8,11-16H2,1-2H3
InChIKeyONQGLQJPJLSOSY-UHFFFAOYSA-N
MW344.49 g/mol
LogP5.13
Rot. Bonds7

About 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate

2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate (PubChem CID 141100936) has the molecular formula C22H32O3 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
PubChem CID141100936
Molecular FormulaC22H32O3
Molecular Weight344.49 g/mol
Exact Mass344.24
IUPAC Name2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
SMILESCC(C)COC(=O)C1(C2CCCC2)CCCC1OCc1ccccc1
InChIInChI=1S/C22H32O3/c1-17(2)15-25-21(23)22(19-11-6-7-12-19)14-8-13-20(22)24-16-18-9-4-3-5-10-18/h3-5,9-10,17,19-20H,6-8,11-16H2,1-2H3
InChIKeyONQGLQJPJLSOSY-UHFFFAOYSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141100914
ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100854
2-methylpropyl 2-phenylmethoxy-1-propylcyclopentane-1-carboxylate
CID 141100848
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
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CID 165043739
benzyl (2S)-2-cyclopropylpropanoate
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1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
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benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
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CID 162502203

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
The IUPAC name of 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate (CID 141100936) is 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate is CC(C)COC(=O)C1(C2CCCC2)CCCC1OCc1ccccc1.
What is the InChIKey of 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
The InChIKey is ONQGLQJPJLSOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-17(2)15-25-21(23)22(19-11-6-7-12-19)14-8-13-20(22)24-16-18-9-4-3-5-10-18/h3-5,9-10,17,19-20H,6-8,11-16H2,1-2H3.
What are the key properties of 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate?
2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate has a molecular weight of 344.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate is sourced from PubChem (CID 141100936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).