1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane

C13H26 — CID 123640401

IUPAC1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane
SMILESCCC1(CC(C)C)CC(C(C)C)C1
InChIInChI=1S/C13H26/c1-6-13(7-10(2)3)8-12(9-13)11(4)5/h10-12H,6-9H2,1-5H3
InChIKeyGCQLWHOTRVGAKY-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds4

About 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane

1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane (PubChem CID 123640401) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane
PubChem CID123640401
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane
SMILESCCC1(CC(C)C)CC(C(C)C)C1
InChIInChI=1S/C13H26/c1-6-13(7-10(2)3)8-12(9-13)11(4)5/h10-12H,6-9H2,1-5H3
InChIKeyGCQLWHOTRVGAKY-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane
CID 144560661
2,2,6,6-tetramethyl-1,4-di(propan-2-yl)piperidine
CID 58730801
1-(3,3-diethylcyclopentyl)ethanethiol
CID 88538499
1-(2-methylpropyl)bicyclo[1.1.0]butane
CID 90914425
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
CID 140583880
2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
CID 123429652
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
CID 102408450

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane?
The IUPAC name of 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane (CID 123640401) is 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane?
The canonical SMILES for 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane is CCC1(CC(C)C)CC(C(C)C)C1.
What is the InChIKey of 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane?
The InChIKey is GCQLWHOTRVGAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-13(7-10(2)3)8-12(9-13)11(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane?
1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane is sourced from PubChem (CID 123640401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).