prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate

C14H24O2 — CID 129216338

IUPACprop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate
SMILESC=CCOC(=O)C(C)C1(C)CCCC1(C)C
InChIInChI=1S/C14H24O2/c1-6-10-16-12(15)11(2)14(5)9-7-8-13(14,3)4/h6,11H,1,7-10H2,2-5H3
InChIKeyWLHMFGXYWOMJCH-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds4

About prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate

prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate (PubChem CID 129216338) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate
PubChem CID129216338
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameprop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate
SMILESC=CCOC(=O)C(C)C1(C)CCCC1(C)C
InChIInChI=1S/C14H24O2/c1-6-10-16-12(15)11(2)14(5)9-7-8-13(14,3)4/h6,11H,1,7-10H2,2-5H3
InChIKeyWLHMFGXYWOMJCH-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allyl cyclohexyl hexanoate
CID 61406
Allyl cyclohexanevalerate
CID 61407
Hexanoic acid, methyl-, 2-propen-1-yl ester
CID 109507
Allyl dimethyloctanoate
CID 3024118
(1R,6S)-Allyl 2,2,6-trimethylcyclohexanecarboxylate
CID 117094806
methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
CID 56595630
Prop-2-en-1-yl 2-oxo-1-pentylcyclopentane-1-carboxylate
CID 13005779
Pentyl allyl butyrate
CID 21313512
Prop-2-enyl 2,2,3-trimethylhexanoate
CID 23622589
Prop-2-en-1-yl 2,2,6-trimethylcyclohexane-1-carboxylate
CID 117834088
Prop-2-enyl 2-cyclohexyl-2-fluorohexanoate
CID 174882564
3-Cyclopentylpropionic acid, 3-methylbut-2-enyl ester
CID 530609

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
The IUPAC name of prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate (CID 129216338) is prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate.
What is the SMILES notation for prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
The canonical SMILES for prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate is C=CCOC(=O)C(C)C1(C)CCCC1(C)C.
What is the InChIKey of prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
The InChIKey is WLHMFGXYWOMJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-10-16-12(15)11(2)14(5)9-7-8-13(14,3)4/h6,11H,1,7-10H2,2-5H3.
What are the key properties of prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(1,2,2-trimethylcyclopentyl)propanoate is sourced from PubChem (CID 129216338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).