1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane

C12H22 — CID 123436733

IUPAC1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane
SMILESCCC1(C2(CC)CC2C)CCC1
InChIInChI=1S/C12H22/c1-4-11(7-6-8-11)12(5-2)9-10(12)3/h10H,4-9H2,1-3H3
InChIKeyKEGGBAQRTNWARO-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds3

About 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane

1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane (PubChem CID 123436733) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane
PubChem CID123436733
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane
SMILESCCC1(C2(CC)CC2C)CCC1
InChIInChI=1S/C12H22/c1-4-11(7-6-8-11)12(5-2)9-10(12)3/h10H,4-9H2,1-3H3
InChIKeyKEGGBAQRTNWARO-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-1-ethyl-1-(1-ethylcyclopentyl)-2-methylcyclopentane
CID 163427402
1-ethyl-1-(1-methylcyclobutyl)cyclobutane
CID 91359732
1,1-diethyl-3-methylcyclohexane
CID 19090157
1-ethyl-1-[(1-ethylcyclobutyl)methoxymethyl]cyclobutane
CID 59817053
1-ethyl-1-propylcyclobutane
CID 58586108
[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
CID 91072791
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1,1-diethylcyclohexane;ethane
CID 142116480
1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane
CID 123501115
4-ethyl-1,2,3,6-tetramethyl-2-propylbicyclo[2.2.0]hexane
CID 123474375

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane?
The IUPAC name of 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane (CID 123436733) is 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane.
What is the SMILES notation for 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane?
The canonical SMILES for 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane is CCC1(C2(CC)CC2C)CCC1.
What is the InChIKey of 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane?
The InChIKey is KEGGBAQRTNWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-11(7-6-8-11)12(5-2)9-10(12)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane?
1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane is sourced from PubChem (CID 123436733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).