2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate

C14H24O2 — CID 166520685

IUPAC2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate
SMILESCC(C)COC(=O)CC1(C)C=CCC1(C)C
InChIInChI=1S/C14H24O2/c1-11(2)10-16-12(15)9-14(5)8-6-7-13(14,3)4/h6,8,11H,7,9-10H2,1-5H3
InChIKeyUMJKNGDQLOVAPZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds4

About 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate

2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate (PubChem CID 166520685) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate
PubChem CID166520685
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate
SMILESCC(C)COC(=O)CC1(C)C=CCC1(C)C
InChIInChI=1S/C14H24O2/c1-11(2)10-16-12(15)9-14(5)8-6-7-13(14,3)4/h6,8,11H,7,9-10H2,1-5H3
InChIKeyUMJKNGDQLOVAPZ-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

2-[(1R)-1,5,5-trimethylcyclopent-2-en-1-yl]ethyl acetate
CID 71734092
ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 15749040
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
CID 54481908
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157
2-methylpropyl 3-fluoropropanoate
CID 140916120
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
2-methylpropyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122156859
2-methylpropyl 2-ethoxyacetate
CID 45108349
bis(2-methylpropyl) 2-sulfanylbutanedioate
CID 3017591
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate (CID 166520685) is 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate is CC(C)COC(=O)CC1(C)C=CCC1(C)C.
What is the InChIKey of 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate?
The InChIKey is UMJKNGDQLOVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)10-16-12(15)9-14(5)8-6-7-13(14,3)4/h6,8,11H,7,9-10H2,1-5H3.
What are the key properties of 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate?
2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate 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 2-methylpropyl 2-(1,5,5-trimethylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 166520685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).