ethyl 3-(cyclopentylmethylidene)heptanoate

C15H26O2 — CID 71386330

IUPACethyl 3-(cyclopentylmethylidene)heptanoate
SMILESCCCCC(=CC1CCCC1)CC(=O)OCC
InChIInChI=1S/C15H26O2/c1-3-5-8-14(12-15(16)17-4-2)11-13-9-6-7-10-13/h11,13H,3-10,12H2,1-2H3
InChIKeyLTJXZZMLXRFIIC-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds7

About ethyl 3-(cyclopentylmethylidene)heptanoate

ethyl 3-(cyclopentylmethylidene)heptanoate (PubChem CID 71386330) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl 3-(cyclopentylmethylidene)heptanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopentylmethylidene)heptanoate
PubChem CID71386330
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl 3-(cyclopentylmethylidene)heptanoate
SMILESCCCCC(=CC1CCCC1)CC(=O)OCC
InChIInChI=1S/C15H26O2/c1-3-5-8-14(12-15(16)17-4-2)11-13-9-6-7-10-13/h11,13H,3-10,12H2,1-2H3
InChIKeyLTJXZZMLXRFIIC-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-(cyclohexylmethylidene)hexanoate
CID 10752447
[(Z)-2-propylhept-1-enyl]cyclopentane
CID 134978984
ethyl 3-oxoheptanoate
CID 559036
ethyl (Z)-3-hexyldec-3-enoate
CID 24977438
dibutyl 2-(cyclopentylmethylidene)propanedioate
CID 90311475
ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
CID 100936979
ethyl 2-(pentanoylamino)acetate
CID 4279931
ethyl 6-cyclohexyl-3-oxohexanoate
CID 101146928
cyclopentanecarbaldehyde;methyl heptanoate
CID 143522930
butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate
CID 87402631
1-cyclohexylhex-1-en-2-ylcyclohexane
CID 164897102

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentylmethylidene)heptanoate?
The IUPAC name of ethyl 3-(cyclopentylmethylidene)heptanoate (CID 71386330) is ethyl 3-(cyclopentylmethylidene)heptanoate.
What is the SMILES notation for ethyl 3-(cyclopentylmethylidene)heptanoate?
The canonical SMILES for ethyl 3-(cyclopentylmethylidene)heptanoate is CCCCC(=CC1CCCC1)CC(=O)OCC.
What is the InChIKey of ethyl 3-(cyclopentylmethylidene)heptanoate?
The InChIKey is LTJXZZMLXRFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-8-14(12-15(16)17-4-2)11-13-9-6-7-10-13/h11,13H,3-10,12H2,1-2H3.
What are the key properties of ethyl 3-(cyclopentylmethylidene)heptanoate?
ethyl 3-(cyclopentylmethylidene)heptanoate has a molecular weight of 238.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentylmethylidene)heptanoate is sourced from PubChem (CID 71386330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).