(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate

C26H30O5 — CID 141325822

IUPAC(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
SMILESO=C(OC(=O)C1CCC(OCc2ccccc2)C1)C1CCC(OCc2ccccc2)C1
InChIInChI=1S/C26H30O5/c27-25(21-11-13-23(15-21)29-17-19-7-3-1-4-8-19)31-26(28)22-12-14-24(16-22)30-18-20-9-5-2-6-10-20/h1-10,21-24H,11-18H2
InChIKeyOPEUNPPKTPGRNY-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.83
Rot. Bonds8

About (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate

(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate (PubChem CID 141325822) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
PubChem CID141325822
Molecular FormulaC26H30O5
Molecular Weight422.52 g/mol
Exact Mass422.21
IUPAC Name(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
SMILESO=C(OC(=O)C1CCC(OCc2ccccc2)C1)C1CCC(OCc2ccccc2)C1
InChIInChI=1S/C26H30O5/c27-25(21-11-13-23(15-21)29-17-19-7-3-1-4-8-19)31-26(28)22-12-14-24(16-22)30-18-20-9-5-2-6-10-20/h1-10,21-24H,11-18H2
InChIKeyOPEUNPPKTPGRNY-UHFFFAOYSA-N
XLogP4.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.83
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

benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
CID 59907113
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
4-phenylbutyl 3-(4-phenylbutoxy)cyclopentane-1-carboxylate
CID 77177493
3-phenylmethoxycyclopentan-1-amine
CID 79421215
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate?
The IUPAC name of (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate (CID 141325822) is (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate.
What is the SMILES notation for (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate?
The canonical SMILES for (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate is O=C(OC(=O)C1CCC(OCc2ccccc2)C1)C1CCC(OCc2ccccc2)C1.
What is the InChIKey of (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate?
The InChIKey is OPEUNPPKTPGRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O5/c27-25(21-11-13-23(15-21)29-17-19-7-3-1-4-8-19)31-26(28)22-12-14-24(16-22)30-18-20-9-5-2-6-10-20/h1-10,21-24H,11-18H2.
What are the key properties of (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate?
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate has a molecular weight of 422.52 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate is sourced from PubChem (CID 141325822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).