2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane

C11H20 — CID 123963440

IUPAC2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
SMILESCCC(C)C1C(CC)C2CC21
InChIInChI=1S/C11H20/c1-4-7(3)11-8(5-2)9-6-10(9)11/h7-11H,4-6H2,1-3H3
InChIKeyWAVQUIAJAOCHGQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds3

About 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane

2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane (PubChem CID 123963440) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
PubChem CID123963440
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
SMILESCCC(C)C1C(CC)C2CC21
InChIInChI=1S/C11H20/c1-4-7(3)11-8(5-2)9-6-10(9)11/h7-11H,4-6H2,1-3H3
InChIKeyWAVQUIAJAOCHGQ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol
CID 144517272
2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
CID 123211802
5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane
CID 149175379
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
CID 155282268
2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane
CID 123495492
2,3-di(butan-2-yl)cyclopropan-1-amine
CID 123532822
2-(2-methylpropyl)bicyclo[1.1.0]butane
CID 123355318
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
6-butan-2-yl-2-oxabicyclo[3.1.0]hexane
CID 166880351
2-(3-butan-2-ylcyclopentyl)bicyclo[1.1.0]butane
CID 123692466

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane?
The IUPAC name of 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane (CID 123963440) is 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane?
The canonical SMILES for 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane is CCC(C)C1C(CC)C2CC21.
What is the InChIKey of 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane?
The InChIKey is WAVQUIAJAOCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-7(3)11-8(5-2)9-6-10(9)11/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane?
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123963440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).