2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene

C13H18O — CID 167106226

IUPAC2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene
SMILESCCOC1=CCC2C=C(C)C=CC2C1
InChIInChI=1S/C13H18O/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13/h4-5,7-8,11-12H,3,6,9H2,1-2H3
InChIKeyLOFSVWCBGAHZGY-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.45
Rot. Bonds2

About 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene

2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene (PubChem CID 167106226) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene
PubChem CID167106226
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene
SMILESCCOC1=CCC2C=C(C)C=CC2C1
InChIInChI=1S/C13H18O/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13/h4-5,7-8,11-12H,3,6,9H2,1-2H3
InChIKeyLOFSVWCBGAHZGY-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene?
The IUPAC name of 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene (CID 167106226) is 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene is CCOC1=CCC2C=C(C)C=CC2C1.
What is the InChIKey of 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene?
The InChIKey is LOFSVWCBGAHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13/h4-5,7-8,11-12H,3,6,9H2,1-2H3.
What are the key properties of 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene?
2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene has a molecular weight of 190.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-1,4,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 167106226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).