1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene

C16H22 — CID 123951420

IUPAC1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene
SMILESC1=CC2=C(C=CCC2CCC2CCC2)CC1
InChIInChI=1S/C16H22/c1-2-10-16-14(7-1)8-4-9-15(16)12-11-13-5-3-6-13/h2,4,8,10,13,15H,1,3,5-7,9,11-12H2
InChIKeyWVSBJPRTTJYWQF-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.79
Rot. Bonds3

About 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene

1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene (PubChem CID 123951420) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene
PubChem CID123951420
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene
SMILESC1=CC2=C(C=CCC2CCC2CCC2)CC1
InChIInChI=1S/C16H22/c1-2-10-16-14(7-1)8-4-9-15(16)12-11-13-5-3-6-13/h2,4,8,10,13,15H,1,3,5-7,9,11-12H2
InChIKeyWVSBJPRTTJYWQF-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene?
The IUPAC name of 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene (CID 123951420) is 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene.
What is the SMILES notation for 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene?
The canonical SMILES for 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene is C1=CC2=C(C=CCC2CCC2CCC2)CC1.
What is the InChIKey of 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene?
The InChIKey is WVSBJPRTTJYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-10-16-14(7-1)8-4-9-15(16)12-11-13-5-3-6-13/h2,4,8,10,13,15H,1,3,5-7,9,11-12H2.
What are the key properties of 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene?
1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene has a molecular weight of 214.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)-1,2,5,6-tetrahydronaphthalene is sourced from PubChem (CID 123951420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).