2,5-dimethyl-3-propylbicyclo[2.2.0]hexane

C11H20 — CID 91214227

IUPAC2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
SMILESCCCC1C(C)C2CC(C)C12
InChIInChI=1S/C11H20/c1-4-5-9-8(3)10-6-7(2)11(9)10/h7-11H,4-6H2,1-3H3
InChIKeyARMGTWHFKDYVQE-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds2

About 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane

2,5-dimethyl-3-propylbicyclo[2.2.0]hexane (PubChem CID 91214227) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
PubChem CID91214227
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
SMILESCCCC1C(C)C2CC(C)C12
InChIInChI=1S/C11H20/c1-4-5-9-8(3)10-6-7(2)11(9)10/h7-11H,4-6H2,1-3H3
InChIKeyARMGTWHFKDYVQE-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 59116018
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
CID 58708477
3,7,9-trimethyl-2-propylbicyclo[3.3.1]nonane
CID 123562796
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;3,8,8,9,9-pentamethyl-5-propyltricyclo[5.2.1.02,6]decane
CID 159252719
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
1,3-dimethyl-2-propylcycloheptane
CID 123611013

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane?
The IUPAC name of 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane (CID 91214227) is 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane.
What is the SMILES notation for 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane?
The canonical SMILES for 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane is CCCC1C(C)C2CC(C)C12.
What is the InChIKey of 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane?
The InChIKey is ARMGTWHFKDYVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-5-9-8(3)10-6-7(2)11(9)10/h7-11H,4-6H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane?
2,5-dimethyl-3-propylbicyclo[2.2.0]hexane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propylbicyclo[2.2.0]hexane is sourced from PubChem (CID 91214227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).