ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate

C12H18Cl2O2 — CID 132579887

IUPACethyl 5,5-dichloro-3-cyclopentylpent-4-enoate
SMILESCCOC(=O)CC(C=C(Cl)Cl)C1CCCC1
InChIInChI=1S/C12H18Cl2O2/c1-2-16-12(15)8-10(7-11(13)14)9-5-3-4-6-9/h7,9-10H,2-6,8H2,1H3
InChIKeyQNNVYPGXLIKSTN-UHFFFAOYSA-N
MW265.18 g/mol
LogP4.07
Rot. Bonds5

About ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate

ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate (PubChem CID 132579887) has the molecular formula C12H18Cl2O2 and a molecular weight of 265.18 g/mol. Its IUPAC name is ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate.

Molecular Properties

Compound Nameethyl 5,5-dichloro-3-cyclopentylpent-4-enoate
PubChem CID132579887
Molecular FormulaC12H18Cl2O2
Molecular Weight265.18 g/mol
Exact Mass264.07
IUPAC Nameethyl 5,5-dichloro-3-cyclopentylpent-4-enoate
SMILESCCOC(=O)CC(C=C(Cl)Cl)C1CCCC1
InChIInChI=1S/C12H18Cl2O2/c1-2-16-12(15)8-10(7-11(13)14)9-5-3-4-6-9/h7,9-10H,2-6,8H2,1H3
InChIKeyQNNVYPGXLIKSTN-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[(2-chloroacetyl)amino]-3-cycloheptylpropanoate
CID 136575188
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 3-cyclopropylbutanoate
CID 47078610
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate
CID 23778511
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
ethyl 4-azido-3-cyclopentylbutanoate
CID 86759177
4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate
CID 162169396

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate?
The IUPAC name of ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate (CID 132579887) is ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate.
What is the SMILES notation for ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate?
The canonical SMILES for ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate is CCOC(=O)CC(C=C(Cl)Cl)C1CCCC1.
What is the InChIKey of ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate?
The InChIKey is QNNVYPGXLIKSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2O2/c1-2-16-12(15)8-10(7-11(13)14)9-5-3-4-6-9/h7,9-10H,2-6,8H2,1H3.
What are the key properties of ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate?
ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate has a molecular weight of 265.18 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dichloro-3-cyclopentylpent-4-enoate is sourced from PubChem (CID 132579887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).