ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate

C12H20O2 — CID 175355413

IUPACethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate
SMILESCCOC(=O)C(C)=CC1CCCC1C
InChIInChI=1S/C12H20O2/c1-4-14-12(13)10(3)8-11-7-5-6-9(11)2/h8-9,11H,4-7H2,1-3H3
InChIKeyPUHOYCLFSNCCHH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds3

About ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate

ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate (PubChem CID 175355413) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate
PubChem CID175355413
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate
SMILESCCOC(=O)C(C)=CC1CCCC1C
InChIInChI=1S/C12H20O2/c1-4-14-12(13)10(3)8-11-7-5-6-9(11)2/h8-9,11H,4-7H2,1-3H3
InChIKeyPUHOYCLFSNCCHH-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl)-2-methylprop-2-enoate
CID 175495215
ethyl (E)-2-methyl-3-(3-methylcyclopentyl)prop-2-enoate
CID 168818421
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 66689875
ethyl 3-[(3S,3aR,4S)-3-hydroxy-7-methyl-2,3,3a,4,5,6-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoate
CID 66676250
ethyl 2-methyl-3-(thiolan-3-yl)prop-2-enoate
CID 107133134
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoate
CID 74412420
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
CID 100936979
propyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2-methylprop-2-enoate
CID 175495239
ethyl (E)-2-methylpent-2-enoate
CID 6436311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate (CID 175355413) is ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate is CCOC(=O)C(C)=CC1CCCC1C.
What is the InChIKey of ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate?
The InChIKey is PUHOYCLFSNCCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-14-12(13)10(3)8-11-7-5-6-9(11)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate?
ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate is sourced from PubChem (CID 175355413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).