[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate

C14H24O2 — CID 174020370

IUPAC[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate
SMILESC=CC(=O)O[C@H]1C[C@H](CC)C(C)(C)C1(C)C
InChIInChI=1S/C14H24O2/c1-7-10-9-11(16-12(15)8-2)14(5,6)13(10,3)4/h8,10-11H,2,7,9H2,1,3-6H3/t10-,11-/m0/s1
InChIKeyMPNOWWBCJIXQNC-QWRGUYRKSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds3

About [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate

[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate (PubChem CID 174020370) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate.

Molecular Properties

Compound Name[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate
PubChem CID174020370
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate
SMILESC=CC(=O)O[C@H]1C[C@H](CC)C(C)(C)C1(C)C
InChIInChI=1S/C14H24O2/c1-7-10-9-11(16-12(15)8-2)14(5,6)13(10,3)4/h8,10-11H,2,7,9H2,1,3-6H3/t10-,11-/m0/s1
InChIKeyMPNOWWBCJIXQNC-QWRGUYRKSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
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

[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 904858
(2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) prop-2-enoate
CID 122518354
(4-butyl-3,3-dimethylcyclopentyl) prop-2-enoate
CID 129100429
(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
CID 173227335
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
CID 144639404
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
CID 175512236
(5-ethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 151484441
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
(2,2-dihydroxycyclohexyl) prop-2-enoate
CID 156755647

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate?
The IUPAC name of [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate (CID 174020370) is [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate.
What is the SMILES notation for [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate?
The canonical SMILES for [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate is C=CC(=O)O[C@H]1C[C@H](CC)C(C)(C)C1(C)C.
What is the InChIKey of [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate?
The InChIKey is MPNOWWBCJIXQNC-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-10-9-11(16-12(15)8-2)14(5,6)13(10,3)4/h8,10-11H,2,7,9H2,1,3-6H3/t10-,11-/m0/s1.
What are the key properties of [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate?
[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate is sourced from PubChem (CID 174020370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).