2-ethyl-3-methylbicyclo[5.1.0]octane

C11H20 — CID 123245029

IUPAC2-ethyl-3-methylbicyclo[5.1.0]octane
SMILESCCC1C(C)CCCC2CC21
InChIInChI=1S/C11H20/c1-3-10-8(2)5-4-6-9-7-11(9)10/h8-11H,3-7H2,1-2H3
InChIKeyIMSYTVNRFWPNJN-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds1

About 2-ethyl-3-methylbicyclo[5.1.0]octane

2-ethyl-3-methylbicyclo[5.1.0]octane (PubChem CID 123245029) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-ethyl-3-methylbicyclo[5.1.0]octane.

Molecular Properties

Compound Name2-ethyl-3-methylbicyclo[5.1.0]octane
PubChem CID123245029
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-ethyl-3-methylbicyclo[5.1.0]octane
SMILESCCC1C(C)CCCC2CC21
InChIInChI=1S/C11H20/c1-3-10-8(2)5-4-6-9-7-11(9)10/h8-11H,3-7H2,1-2H3
InChIKeyIMSYTVNRFWPNJN-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
1-ethyl-2,3,4-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162289049
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
1-(3-ethylcyclobutyl)-2-methylcyclopentane
CID 143653431
ethane;(2-ethyl-3-methylcyclohexyl)methanamine
CID 176567234
2-ethyl-3-methylcycloheptan-1-amine
CID 139376160
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylbicyclo[5.1.0]octane?
The IUPAC name of 2-ethyl-3-methylbicyclo[5.1.0]octane (CID 123245029) is 2-ethyl-3-methylbicyclo[5.1.0]octane.
What is the SMILES notation for 2-ethyl-3-methylbicyclo[5.1.0]octane?
The canonical SMILES for 2-ethyl-3-methylbicyclo[5.1.0]octane is CCC1C(C)CCCC2CC21.
What is the InChIKey of 2-ethyl-3-methylbicyclo[5.1.0]octane?
The InChIKey is IMSYTVNRFWPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-10-8(2)5-4-6-9-7-11(9)10/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-3-methylbicyclo[5.1.0]octane?
2-ethyl-3-methylbicyclo[5.1.0]octane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylbicyclo[5.1.0]octane is sourced from PubChem (CID 123245029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).