2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane

C20H32 — CID 148989038

IUPAC2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
SMILESCCC1CC(C2CCC(C3CC(C4CC5CC54)C3)C2)C1
InChIInChI=1S/C20H32/c1-2-12-5-15(6-12)13-3-4-14(7-13)16-8-17(9-16)19-10-18-11-20(18)19/h12-20H,2-11H2,1H3
InChIKeyPXIGZAIHBWVMAJ-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.52
Rot. Bonds4

About 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane

2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane (PubChem CID 148989038) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
PubChem CID148989038
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
SMILESCCC1CC(C2CCC(C3CC(C4CC5CC54)C3)C2)C1
InChIInChI=1S/C20H32/c1-2-12-5-15(6-12)13-3-4-14(7-13)16-8-17(9-16)19-10-18-11-20(18)19/h12-20H,2-11H2,1H3
InChIKeyPXIGZAIHBWVMAJ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
(1S,5R)-3-ethylbicyclo[3.1.0]hexane
CID 154521866
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91006589
4-ethyltricyclo[5.2.1.02,6]decan-8-amine
CID 155442148
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431
(3-ethylcyclopentyl)cyclohexane
CID 142208206
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine
CID 134502157
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
tricyclo[3.3.0.02,7]octane
CID 13112141

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane?
The IUPAC name of 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane (CID 148989038) is 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane.
What is the SMILES notation for 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane?
The canonical SMILES for 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane is CCC1CC(C2CCC(C3CC(C4CC5CC54)C3)C2)C1.
What is the InChIKey of 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane?
The InChIKey is PXIGZAIHBWVMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-2-12-5-15(6-12)13-3-4-14(7-13)16-8-17(9-16)19-10-18-11-20(18)19/h12-20H,2-11H2,1H3.
What are the key properties of 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane?
2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane has a molecular weight of 272.48 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane is sourced from PubChem (CID 148989038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).