2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane

C12H20 — CID 90876004

IUPAC2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane
SMILESCCC12CC1C2C1(C)CCC1C
InChIInChI=1S/C12H20/c1-4-12-7-9(12)10(12)11(3)6-5-8(11)2/h8-10H,4-7H2,1-3H3
InChIKeyIJQQWWJSBYFFKQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds2

About 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane

2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane (PubChem CID 90876004) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane
PubChem CID90876004
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane
SMILESCCC12CC1C2C1(C)CCC1C
InChIInChI=1S/C12H20/c1-4-12-7-9(12)10(12)11(3)6-5-8(11)2/h8-10H,4-7H2,1-3H3
InChIKeyIJQQWWJSBYFFKQ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-1-ethyl-2-methylcyclopropane
CID 22389706
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 123146097
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
CID 123542377
1-ethyl-3-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123608958
(1S,2R,5R,6R)-5-ethyl-2,6-dimethylbicyclo[3.1.0]hexan-2-ol
CID 143765864
9-ethyl-2,5-dimethyltricyclo[4.3.0.02,4]nonane
CID 123500239
3a-ethyl-5b,8,8,9,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene
CID 145495276
2',5-diethyl-5-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
CID 123577776
(1R,3aR,5S,6R,7aR)-7a-ethyl-1,4,4-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene-5,6-diol
CID 129073791

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane?
The IUPAC name of 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane (CID 90876004) is 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane?
The canonical SMILES for 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane is CCC12CC1C2C1(C)CCC1C.
What is the InChIKey of 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane?
The InChIKey is IJQQWWJSBYFFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-12-7-9(12)10(12)11(3)6-5-8(11)2/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane?
2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane is sourced from PubChem (CID 90876004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).