(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene

C13H18 — CID 163236306

IUPAC(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H]1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C13H18/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-7,10,12H,3,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyFHXAVAPVNJQCEF-JQWIXIFHSA-N
MW174.29 g/mol
LogP3.76
Rot. Bonds1

About (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene

(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 163236306) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID163236306
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H]1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C13H18/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-7,10,12H,3,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyFHXAVAPVNJQCEF-JQWIXIFHSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3-dihydro-1H-indene
CID 20971
2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 144704080
(2R)-2-methyl-1-(2,2,3-trimethylcyclopropyl)-1,2,3,4-tetrahydronaphthalene
CID 163627308
diphosphanyl-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-phosphanylphosphane
CID 21061778
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
(1R)-1-[[3-[(1Z)-buta-1,3-dienyl]-2,4,6-trimethylphenyl]methyl]-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143950817
2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine
CID 91866934

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 163236306) is (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene is CC[C@@H]1c2ccccc2CC[C@@H]1C.
What is the InChIKey of (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FHXAVAPVNJQCEF-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H18/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-7,10,12H,3,8-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene?
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 163236306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).