3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane

C12H22 — CID 163871829

IUPAC3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
SMILESCCC1CC2CC2CC1C(C)C
InChIInChI=1S/C12H22/c1-4-9-5-10-6-11(10)7-12(9)8(2)3/h8-12H,4-7H2,1-3H3
InChIKeyPLMALMLVKUFGRO-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds2

About 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane

3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane (PubChem CID 163871829) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
PubChem CID163871829
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
SMILESCCC1CC2CC2CC1C(C)C
InChIInChI=1S/C12H22/c1-4-9-5-10-6-11(10)7-12(9)8(2)3/h8-12H,4-7H2,1-3H3
InChIKeyPLMALMLVKUFGRO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
carbon dioxide;1-ethyl-2-propan-2-ylcyclopropane
CID 158990668
4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 165497815
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
CID 122414284
(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
CID 170528391
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433
(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527722

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane (CID 163871829) is 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane is CCC1CC2CC2CC1C(C)C.
What is the InChIKey of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The InChIKey is PLMALMLVKUFGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-9-5-10-6-11(10)7-12(9)8(2)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane?
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 163871829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).