6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C21H30 — CID 139848588

IUPAC6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=Cc1ccc2c(c1)CCC(C1CCC(CCC)CC1)C2
InChIInChI=1S/C21H30/c1-3-5-17-7-9-18(10-8-17)20-13-12-19-14-16(4-2)6-11-21(19)15-20/h4,6,11,14,17-18,20H,2-3,5,7-10,12-13,15H2,1H3
InChIKeyTZNBTTRDPWSQFJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.04
Rot. Bonds4

About 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848588) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139848588
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=Cc1ccc2c(c1)CCC(C1CCC(CCC)CC1)C2
InChIInChI=1S/C21H30/c1-3-5-17-7-9-18(10-8-17)20-13-12-19-14-16(4-2)6-11-21(19)15-20/h4,6,11,14,17-18,20H,2-3,5,7-10,12-13,15H2,1H3
InChIKeyTZNBTTRDPWSQFJ-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 139848588) is 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is C=Cc1ccc2c(c1)CCC(C1CCC(CCC)CC1)C2.
What is the InChIKey of 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is TZNBTTRDPWSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-3-5-17-7-9-18(10-8-17)20-13-12-19-14-16(4-2)6-11-21(19)15-20/h4,6,11,14,17-18,20H,2-3,5,7-10,12-13,15H2,1H3.
What are the key properties of 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 282.47 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).