6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene

C22H26 — CID 19914431

IUPAC6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESc1cc2c(cc1CCc1ccc3c(c1)CCCC3)CCCC2
InChIInChI=1S/C22H26/c1-3-7-21-15-17(11-13-19(21)5-1)9-10-18-12-14-20-6-2-4-8-22(20)16-18/h11-16H,1-10H2
InChIKeySAJBUWVQNZFBLZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.23
Rot. Bonds3

About 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene

6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 19914431) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID19914431
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESc1cc2c(cc1CCc1ccc3c(c1)CCCC3)CCCC2
InChIInChI=1S/C22H26/c1-3-7-21-15-17(11-13-19(21)5-1)9-10-18-12-14-20-6-2-4-8-22(20)16-18/h11-16H,1-10H2
InChIKeySAJBUWVQNZFBLZ-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine
CID 94769020
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 19914431) is 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene is c1cc2c(cc1CCc1ccc3c(c1)CCCC3)CCCC2.
What is the InChIKey of 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SAJBUWVQNZFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-3-7-21-15-17(11-13-19(21)5-1)9-10-18-12-14-20-6-2-4-8-22(20)16-18/h11-16H,1-10H2.
What are the key properties of 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 19914431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).