(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate

C12H18O2 — CID 142801588

IUPAC(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C=C)CC1C
InChIInChI=1S/C12H18O2/c1-4-10-6-9(3)11(7-10)8-14-12(13)5-2/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyWNDWJDGTHCYFSF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.56
Rot. Bonds4

About (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate

(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate (PubChem CID 142801588) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
PubChem CID142801588
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C=C)CC1C
InChIInChI=1S/C12H18O2/c1-4-10-6-9(3)11(7-10)8-14-12(13)5-2/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyWNDWJDGTHCYFSF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
CID 58890213
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
CID 139639663
(5-methyl-2-oxooxolan-3-yl)methyl prop-2-enoate
CID 163217032
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
(5,6,6-trifluoro-5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl prop-2-enoate
CID 166810420
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate
CID 151236845
[(1S,2R,6S,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490885

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate?
The IUPAC name of (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate (CID 142801588) is (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate.
What is the SMILES notation for (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate?
The canonical SMILES for (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate is C=CC(=O)OCC1CC(C=C)CC1C.
What is the InChIKey of (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate?
The InChIKey is WNDWJDGTHCYFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-10-6-9(3)11(7-10)8-14-12(13)5-2/h4-5,9-11H,1-2,6-8H2,3H3.
What are the key properties of (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate?
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate has a molecular weight of 194.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate is sourced from PubChem (CID 142801588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).