1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene

C22H28 — CID 173308168

IUPAC1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCc1ccc(CC=C)c2c1C(CC=C)CCC2CC=C
InChIInChI=1S/C22H28/c1-5-9-17-13-14-19(11-7-3)22-20(12-8-4)16-15-18(10-6-2)21(17)22/h5-8,13-14,18,20H,1-4,9-12,15-16H2
InChIKeyRRTPQSYEFUSTDB-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.26
Rot. Bonds8

About 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene

1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 173308168) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID173308168
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCc1ccc(CC=C)c2c1C(CC=C)CCC2CC=C
InChIInChI=1S/C22H28/c1-5-9-17-13-14-19(11-7-3)22-20(12-8-4)16-15-18(10-6-2)21(17)22/h5-8,13-14,18,20H,1-4,9-12,15-16H2
InChIKeyRRTPQSYEFUSTDB-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene (CID 173308168) is 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene is C=CCc1ccc(CC=C)c2c1C(CC=C)CCC2CC=C.
What is the InChIKey of 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RRTPQSYEFUSTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-9-17-13-14-19(11-7-3)22-20(12-8-4)16-15-18(10-6-2)21(17)22/h5-8,13-14,18,20H,1-4,9-12,15-16H2.
What are the key properties of 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene?
1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.47 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetrakis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 173308168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).