1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene

C16H20 — CID 123727569

IUPAC1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
SMILESC1=CC(C2CCCc3ccccc32)CCC1
InChIInChI=1S/C16H20/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2,4-5,7,9,11,13,16H,1,3,6,8,10,12H2
InChIKeyGMYTVEHFTYILIY-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.46
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene

1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 123727569) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID123727569
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
SMILESC1=CC(C2CCCc3ccccc32)CCC1
InChIInChI=1S/C16H20/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2,4-5,7,9,11,13,16H,1,3,6,8,10,12H2
InChIKeyGMYTVEHFTYILIY-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 91378246
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 22102285
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
CID 55111676
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
CID 67829794
1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
CID 91409282
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene (CID 123727569) is 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene is C1=CC(C2CCCc3ccccc32)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GMYTVEHFTYILIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2,4-5,7,9,11,13,16H,1,3,6,8,10,12H2.
What are the key properties of 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene?
1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 212.34 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 123727569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).