6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C22H32 — CID 139849308

IUPAC6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=Cc1ccc2c(c1)CCC(CCC1CCC(CC)CC1)C2
InChIInChI=1S/C22H32/c1-3-17-5-7-19(8-6-17)9-10-20-12-14-21-15-18(4-2)11-13-22(21)16-20/h4,11,13,15,17,19-20H,2-3,5-10,12,14,16H2,1H3
InChIKeySKTLACRMGUPNSF-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.43
Rot. Bonds5

About 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene

6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849308) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849308
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=Cc1ccc2c(c1)CCC(CCC1CCC(CC)CC1)C2
InChIInChI=1S/C22H32/c1-3-17-5-7-19(8-6-17)9-10-20-12-14-21-15-18(4-2)11-13-22(21)16-20/h4,11,13,15,17,19-20H,2-3,5-10,12,14,16H2,1H3
InChIKeySKTLACRMGUPNSF-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 139849308) is 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene is C=Cc1ccc2c(c1)CCC(CCC1CCC(CC)CC1)C2.
What is the InChIKey of 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SKTLACRMGUPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-3-17-5-7-19(8-6-17)9-10-20-12-14-21-15-18(4-2)11-13-22(21)16-20/h4,11,13,15,17,19-20H,2-3,5-10,12,14,16H2,1H3.
What are the key properties of 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 296.50 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-[2-(4-ethylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).