methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate

C12H20O2 — CID 135069412

IUPACmethyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate
SMILESC=C1C(CC(=O)OC)C(CC)C1(C)C
InChIInChI=1S/C12H20O2/c1-6-10-9(7-11(13)14-5)8(2)12(10,3)4/h9-10H,2,6-7H2,1,3-5H3
InChIKeyUAUQUSZHTZLLAX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.79
Rot. Bonds3

About methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate

methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate (PubChem CID 135069412) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate
PubChem CID135069412
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate
SMILESC=C1C(CC(=O)OC)C(CC)C1(C)C
InChIInChI=1S/C12H20O2/c1-6-10-9(7-11(13)14-5)8(2)12(10,3)4/h9-10H,2,6-7H2,1,3-5H3
InChIKeyUAUQUSZHTZLLAX-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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

methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate
CID 15370782
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
methyl 2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate
CID 736113
methyl 2-[(1R)-5-methylidene-4-oxocyclopent-2-en-1-yl]acetate
CID 125474230
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
methyl 2-[(1R,2R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetate
CID 14084988
methyl 2-[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetate
CID 99959432
methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate
CID 123612113
methane;methyl 2-[(2R,3R)-2-ethyl-4-oxooxetan-3-yl]acetate;methyl 2-[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]acetate
CID 159541382
1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
CID 12754424
methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate
CID 88797661
methyl (3E)-3-[2-(2-methoxy-2-oxoethyl)-3,3-dimethylcyclohexylidene]propanoate
CID 10880097

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate?
The IUPAC name of methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate (CID 135069412) is methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate.
What is the SMILES notation for methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate?
The canonical SMILES for methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate is C=C1C(CC(=O)OC)C(CC)C1(C)C.
What is the InChIKey of methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate?
The InChIKey is UAUQUSZHTZLLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-6-10-9(7-11(13)14-5)8(2)12(10,3)4/h9-10H,2,6-7H2,1,3-5H3.
What are the key properties of methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate?
methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate has a molecular weight of 196.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate is sourced from PubChem (CID 135069412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).