5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene

C25H30 — CID 166553359

IUPAC5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.CCc1cccc2c1CCCC2
InChIInChI=1S/C13H14.C12H16/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-10H,1-2H3;5,7-8H,2-4,6,9H2,1H3
InChIKeyADQDBXVGIPIJJN-UHFFFAOYSA-N
MW330.51 g/mol
LogP7.09
Rot. Bonds2

About 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene

5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene (PubChem CID 166553359) has the molecular formula C25H30 and a molecular weight of 330.51 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Name5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
PubChem CID166553359
Molecular FormulaC25H30
Molecular Weight330.51 g/mol
Exact Mass330.23
IUPAC Name5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.CCc1cccc2c1CCCC2
InChIInChI=1S/C13H14.C12H16/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-10H,1-2H3;5,7-8H,2-4,6,9H2,1H3
InChIKeyADQDBXVGIPIJJN-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;1-propan-2-ylnaphthalene
CID 157253186
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
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CID 178128583
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
CID 142243189
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
CID 59487265
anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
CID 174858914
5-ethyl-1,2,3,4-tetrahydroanthracene
CID 141269354
6-ethyl-1-propan-2-ylnaphthalene
CID 123206196
1-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 145111683
(1S)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-amine
CID 130644887

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene?
The IUPAC name of 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene (CID 166553359) is 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene.
What is the SMILES notation for 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene?
The canonical SMILES for 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene is CC(C)c1cccc2ccccc12.CCc1cccc2c1CCCC2.
What is the InChIKey of 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene?
The InChIKey is ADQDBXVGIPIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H16/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-10H,1-2H3;5,7-8H,2-4,6,9H2,1H3.
What are the key properties of 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene?
5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene has a molecular weight of 330.51 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene is sourced from PubChem (CID 166553359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).