1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane

C17H34 — CID 123211802

IUPAC1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
SMILESCCC(CC)CC1C(C)C(CC)C1C(C)CC
InChIInChI=1S/C17H34/c1-7-12(5)17-15(10-4)13(6)16(17)11-14(8-2)9-3/h12-17H,7-11H2,1-6H3
InChIKeyBPFURFMGCROFLB-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds7

About 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane

1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane (PubChem CID 123211802) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
PubChem CID123211802
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
SMILESCCC(CC)CC1C(C)C(CC)C1C(C)CC
InChIInChI=1S/C17H34/c1-7-12(5)17-15(10-4)13(6)16(17)11-14(8-2)9-3/h12-17H,7-11H2,1-6H3
InChIKeyBPFURFMGCROFLB-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
1-(2-ethyl-3-methylcyclopropyl)-3-methylbutan-2-amine
CID 155273756
1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane
CID 123245252
2,3-di(butan-2-yl)cyclopropan-1-amine
CID 123532822
2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane
CID 123575155
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane
CID 123947517
1-butan-2-yl-2-ethylcyclobutane
CID 91142944

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane?
The IUPAC name of 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane (CID 123211802) is 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane.
What is the SMILES notation for 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane?
The canonical SMILES for 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane is CCC(CC)CC1C(C)C(CC)C1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane?
The InChIKey is BPFURFMGCROFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-12(5)17-15(10-4)13(6)16(17)11-14(8-2)9-3/h12-17H,7-11H2,1-6H3.
What are the key properties of 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane?
1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane is sourced from PubChem (CID 123211802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).