1-(3-ethylcyclobutyl)-2-methylcyclopentane

C12H22 — CID 143653431

IUPAC1-(3-ethylcyclobutyl)-2-methylcyclopentane
SMILESCCC1CC(C2CCCC2C)C1
InChIInChI=1S/C12H22/c1-3-10-7-11(8-10)12-6-4-5-9(12)2/h9-12H,3-8H2,1-2H3
InChIKeyQJDPVUQAJUIZIJ-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds2

About 1-(3-ethylcyclobutyl)-2-methylcyclopentane

1-(3-ethylcyclobutyl)-2-methylcyclopentane (PubChem CID 143653431) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)-2-methylcyclopentane.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)-2-methylcyclopentane
PubChem CID143653431
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(3-ethylcyclobutyl)-2-methylcyclopentane
SMILESCCC1CC(C2CCCC2C)C1
InChIInChI=1S/C12H22/c1-3-10-7-11(8-10)12-6-4-5-9(12)2/h9-12H,3-8H2,1-2H3
InChIKeyQJDPVUQAJUIZIJ-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-ethylcyclohexyl)-1,7-dimethyl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552213
[3-(2-methylcyclopentyl)cycloheptyl]methanethiol
CID 163894608
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
3-ethyl-9-iodobicyclo[3.3.1]nonane
CID 134444057
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1-methyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140848336
2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
CID 148989038
2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91006589
1-cyclopropyl-3-ethylcyclobutane
CID 123813009

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)-2-methylcyclopentane?
The IUPAC name of 1-(3-ethylcyclobutyl)-2-methylcyclopentane (CID 143653431) is 1-(3-ethylcyclobutyl)-2-methylcyclopentane.
What is the SMILES notation for 1-(3-ethylcyclobutyl)-2-methylcyclopentane?
The canonical SMILES for 1-(3-ethylcyclobutyl)-2-methylcyclopentane is CCC1CC(C2CCCC2C)C1.
What is the InChIKey of 1-(3-ethylcyclobutyl)-2-methylcyclopentane?
The InChIKey is QJDPVUQAJUIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-10-7-11(8-10)12-6-4-5-9(12)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethylcyclobutyl)-2-methylcyclopentane?
1-(3-ethylcyclobutyl)-2-methylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)-2-methylcyclopentane is sourced from PubChem (CID 143653431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).