(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene

C14H26 — CID 54221269

IUPAC(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCCC1CC[C@@]2(C)CCCC[C@@]2(C)C1
InChIInChI=1S/C14H26/c1-4-12-7-10-13(2)8-5-6-9-14(13,3)11-12/h12H,4-11H2,1-3H3/t12?,13-,14+/m1/s1
InChIKeyQCTNOAQXLXXCCF-IUZLNWEFSA-N
MW194.36 g/mol
LogP4.78
Rot. Bonds1

About (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene

(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene (PubChem CID 54221269) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
PubChem CID54221269
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCCC1CC[C@@]2(C)CCCC[C@@]2(C)C1
InChIInChI=1S/C14H26/c1-4-12-7-10-13(2)8-5-6-9-14(13,3)11-12/h12H,4-11H2,1-3H3/t12?,13-,14+/m1/s1
InChIKeyQCTNOAQXLXXCCF-IUZLNWEFSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
CID 130979819
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
2-ethylspiro[3.3]heptane
CID 123395058
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
ethane;8-ethyl-2-azaspiro[4.6]undecane
CID 168995957
1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 58078441
(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 58990308

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The IUPAC name of (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene (CID 54221269) is (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene.
What is the SMILES notation for (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The canonical SMILES for (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene is CCC1CC[C@@]2(C)CCCC[C@@]2(C)C1.
What is the InChIKey of (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The InChIKey is QCTNOAQXLXXCCF-IUZLNWEFSA-N. The full InChI is InChI=1S/C14H26/c1-4-12-7-10-13(2)8-5-6-9-14(13,3)11-12/h12H,4-11H2,1-3H3/t12?,13-,14+/m1/s1.
What are the key properties of (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene has a molecular weight of 194.36 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene is sourced from PubChem (CID 54221269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).