4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane

C17H32 — CID 123756001

IUPAC4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane
SMILESCCCC1(CC)C(C)C(C(C)C)C2(C)C(C)C12
InChIInChI=1S/C17H32/c1-8-10-17(9-2)12(5)14(11(3)4)16(7)13(6)15(16)17/h11-15H,8-10H2,1-7H3
InChIKeyUUECFFOBMOOGOP-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.38
Rot. Bonds4

About 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane

4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane (PubChem CID 123756001) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane
PubChem CID123756001
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane
SMILESCCCC1(CC)C(C)C(C(C)C)C2(C)C(C)C12
InChIInChI=1S/C17H32/c1-8-10-17(9-2)12(5)14(11(3)4)16(7)13(6)15(16)17/h11-15H,8-10H2,1-7H3
InChIKeyUUECFFOBMOOGOP-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-propan-2-yl-1-propylcyclopropane
CID 90948897
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
1,1-diethyl-2-propan-2-yl-3-propylcyclopropane
CID 91439664
1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
2,3-dimethyl-1-propan-2-yl-1-propylcyclobutane
CID 123295211
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
CID 123758014
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
1,1-diethyl-2-methyl-3-propylcyclopropane
CID 140701623
1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
CID 123467509
1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane
CID 123267529
1-ethyl-3-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123608958

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane?
The IUPAC name of 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane (CID 123756001) is 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane.
What is the SMILES notation for 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane?
The canonical SMILES for 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane is CCCC1(CC)C(C)C(C(C)C)C2(C)C(C)C12.
What is the InChIKey of 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane?
The InChIKey is UUECFFOBMOOGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-10-17(9-2)12(5)14(11(3)4)16(7)13(6)15(16)17/h11-15H,8-10H2,1-7H3.
What are the key properties of 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane?
4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane has a molecular weight of 236.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123756001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).