1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene

C22H34 — CID 173140457

IUPAC1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene
SMILESCCC1=C(CC)C(CC)c2c(cc(CC)c(CC)c2CC)C1
InChIInChI=1S/C22H34/c1-7-15-13-17-14-16(8-2)19(10-4)21(12-6)22(17)20(11-5)18(15)9-3/h13,21H,7-12,14H2,1-6H3
InChIKeyFLVSNRJBFRDQFF-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.54
Rot. Bonds6

About 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene

1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene (PubChem CID 173140457) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene
PubChem CID173140457
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene
SMILESCCC1=C(CC)C(CC)c2c(cc(CC)c(CC)c2CC)C1
InChIInChI=1S/C22H34/c1-7-15-13-17-14-16(8-2)19(10-4)21(12-6)22(17)20(11-5)18(15)9-3/h13,21H,7-12,14H2,1-6H3
InChIKeyFLVSNRJBFRDQFF-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.54
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 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene?
The IUPAC name of 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene (CID 173140457) is 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene.
What is the SMILES notation for 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene?
The canonical SMILES for 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene is CCC1=C(CC)C(CC)c2c(cc(CC)c(CC)c2CC)C1.
What is the InChIKey of 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene?
The InChIKey is FLVSNRJBFRDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-7-15-13-17-14-16(8-2)19(10-4)21(12-6)22(17)20(11-5)18(15)9-3/h13,21H,7-12,14H2,1-6H3.
What are the key properties of 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene?
1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene has a molecular weight of 298.51 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene is sourced from PubChem (CID 173140457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).