5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene

C13H18 — CID 57495738

IUPAC5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1cccc2c1CCCC2C
InChIInChI=1S/C13H18/c1-3-11-7-5-8-12-10(2)6-4-9-13(11)12/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyRUMBJDPBRMOOBB-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.69
Rot. Bonds1

About 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene

5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 57495738) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID57495738
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1cccc2c1CCCC2C
InChIInChI=1S/C13H18/c1-3-11-7-5-8-12-10(2)6-4-9-13(11)12/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyRUMBJDPBRMOOBB-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene (CID 57495738) is 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene is CCc1cccc2c1CCCC2C.
What is the InChIKey of 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RUMBJDPBRMOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-11-7-5-8-12-10(2)6-4-9-13(11)12/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 57495738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).