(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate

C25H30O3 — CID 23447064

IUPAC(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(/C=C/C2CCCC2)C1C(=O)OCc1coc(Cc2ccccc2)c1
InChIInChI=1S/C25H30O3/c1-25(2)22(13-12-18-8-6-7-9-18)23(25)24(26)28-17-20-15-21(27-16-20)14-19-10-4-3-5-11-19/h3-5,10-13,15-16,18,22-23H,6-9,14,17H2,1-2H3/b13-12+
InChIKeyHRVYPEUHQKRTKM-OUKQBFOZSA-N
MW378.51 g/mol
LogP5.93
Rot. Bonds7

About (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate

(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 23447064) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID23447064
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(/C=C/C2CCCC2)C1C(=O)OCc1coc(Cc2ccccc2)c1
InChIInChI=1S/C25H30O3/c1-25(2)22(13-12-18-8-6-7-9-18)23(25)24(26)28-17-20-15-21(27-16-20)14-19-10-4-3-5-11-19/h3-5,10-13,15-16,18,22-23H,6-9,14,17H2,1-2H3/b13-12+
InChIKeyHRVYPEUHQKRTKM-OUKQBFOZSA-N
XLogP5.93
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(5-benzylfuran-3-yl)methyl (1R,3R)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54142900
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-[(Z)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate
CID 6089304
cis-(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-[(E)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate
CID 12940702
(3-benzylphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 12944761
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;cis-(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 70012599
(5-prop-2-ynylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 23336343
(5-benzoylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 20571112
cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
CID 78324671
(5-benzylfuran-3-yl)methanol;cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
CID 22838378
trans-benzyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 139984141
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 70012485
(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
CID 12604000

Frequently Asked Questions

What is the IUPAC name of (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 23447064) is (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate is CC1(C)C(/C=C/C2CCCC2)C1C(=O)OCc1coc(Cc2ccccc2)c1.
What is the InChIKey of (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is HRVYPEUHQKRTKM-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H30O3/c1-25(2)22(13-12-18-8-6-7-9-18)23(25)24(26)28-17-20-15-21(27-16-20)14-19-10-4-3-5-11-19/h3-5,10-13,15-16,18,22-23H,6-9,14,17H2,1-2H3/b13-12+.
What are the key properties of (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate?
(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 378.51 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 23447064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).