1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene

C22H26 — CID 15742901

IUPAC1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCCC2CCC1CCCc2ccccc21
InChIInChI=1S/C22H26/c1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-4,7-8,13-14,19-20H,5-6,9-12,15-16H2
InChIKeyNAZOJDBSDOYMEW-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.01
Rot. Bonds3

About 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 15742901) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID15742901
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCCC2CCC1CCCc2ccccc21
InChIInChI=1S/C22H26/c1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-4,7-8,13-14,19-20H,5-6,9-12,15-16H2
InChIKeyNAZOJDBSDOYMEW-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 10561836
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
4-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonic acid
CID 142978184
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
CID 64508890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 15742901) is 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene is c1ccc2c(c1)CCCC2CCC1CCCc2ccccc21.
What is the InChIKey of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NAZOJDBSDOYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-4,7-8,13-14,19-20H,5-6,9-12,15-16H2.
What are the key properties of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.45 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 15742901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).