2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H24 — CID 58552208

IUPAC2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CCC2CCCCC2C1C
InChIInChI=1S/C13H24/c1-3-11-8-9-12-6-4-5-7-13(12)10(11)2/h10-13H,3-9H2,1-2H3
InChIKeyHQGWFRLLZZJRGF-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds1

About 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58552208) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58552208
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CCC2CCCCC2C1C
InChIInChI=1S/C13H24/c1-3-11-8-9-12-6-4-5-7-13(12)10(11)2/h10-13H,3-9H2,1-2H3
InChIKeyHQGWFRLLZZJRGF-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1,3-diethyl-2-methylcyclopentane
CID 123589151
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
1-cyclobutyl-2-ethylcyclobutane
CID 123211451
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;zirconium(4+)
CID 23230200
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
(5aR,9aR)-2-ethyl-3,5-dimethyl-4-methylidene-1,2,3,3a,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydrocyclopenta[b]anthracene
CID 162302290
2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
CID 161039599
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58552208) is 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1CCC2CCCCC2C1C.
What is the InChIKey of 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HQGWFRLLZZJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-11-8-9-12-6-4-5-7-13(12)10(11)2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 180.33 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58552208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).