2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane

C11H18O — CID 167551948

IUPAC2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane
SMILESCCC1CC(=C=COC)C1(C)C
InChIInChI=1S/C11H18O/c1-5-9-8-10(6-7-12-4)11(9,2)3/h7,9H,5,8H2,1-4H3
InChIKeyOBBRBFWQTSASPZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.13
Rot. Bonds2

About 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane

2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane (PubChem CID 167551948) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane
PubChem CID167551948
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane
SMILESCCC1CC(=C=COC)C1(C)C
InChIInChI=1S/C11H18O/c1-5-9-8-10(6-7-12-4)11(9,2)3/h7,9H,5,8H2,1-4H3
InChIKeyOBBRBFWQTSASPZ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethyl-3-prop-1-enylidenecyclobutyl)methanol
CID 167543453
1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane
CID 167543456
[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
CID 165387213
carbon dioxide;(2,2-dimethyl-3-propylidenecyclobutyl)methanol;[3-(methoxymethylidene)-2,2-dimethylcyclobutyl]methanol
CID 167610195
1-[2-[3-(chloromethyl)-2,2-dimethylcyclobutylidene]ethenylsulfonyl]-4-methylbenzene
CID 165387181
3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene
CID 123544854
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347
3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one
CID 13059206
4-ethyl-3,3-dimethylpyrrolidin-2-one
CID 144542846
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
(4R)-4-ethyl-3,3-dimethyloxolane
CID 166089274

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane?
The IUPAC name of 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane (CID 167551948) is 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane.
What is the SMILES notation for 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane?
The canonical SMILES for 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane is CCC1CC(=C=COC)C1(C)C.
What is the InChIKey of 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane?
The InChIKey is OBBRBFWQTSASPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-9-8-10(6-7-12-4)11(9,2)3/h7,9H,5,8H2,1-4H3.
What are the key properties of 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane?
2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane has a molecular weight of 166.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methoxyethenylidene)-1,1-dimethylcyclobutane is sourced from PubChem (CID 167551948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).