1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene

C15H28 — CID 58078441

IUPAC1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCCC1C(C)CCC2(C)CCCCC12C
InChIInChI=1S/C15H28/c1-5-13-12(2)8-11-14(3)9-6-7-10-15(13,14)4/h12-13H,5-11H2,1-4H3
InChIKeyXDMWGZBFIVVMPO-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds1

About 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene

1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene (PubChem CID 58078441) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
PubChem CID58078441
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCCC1C(C)CCC2(C)CCCCC12C
InChIInChI=1S/C15H28/c1-5-13-12(2)8-11-14(3)9-6-7-10-15(13,14)4/h12-13H,5-11H2,1-4H3
InChIKeyXDMWGZBFIVVMPO-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The IUPAC name of 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene (CID 58078441) is 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The canonical SMILES for 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene is CCC1C(C)CCC2(C)CCCCC12C.
What is the InChIKey of 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The InChIKey is XDMWGZBFIVVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-13-12(2)8-11-14(3)9-6-7-10-15(13,14)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene has a molecular weight of 208.39 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene is sourced from PubChem (CID 58078441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).