5,7-dichloro-2-pentyl-1,4-dihydronaphthalene

C15H18Cl2 — CID 139948672

IUPAC5,7-dichloro-2-pentyl-1,4-dihydronaphthalene
SMILESCCCCCC1=CCc2c(Cl)cc(Cl)cc2C1
InChIInChI=1S/C15H18Cl2/c1-2-3-4-5-11-6-7-14-12(8-11)9-13(16)10-15(14)17/h6,9-10H,2-5,7-8H2,1H3
InChIKeyYUQVVWWYGVJIQS-UHFFFAOYSA-N
MW269.21 g/mol
LogP5.60
Rot. Bonds4

About 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene

5,7-dichloro-2-pentyl-1,4-dihydronaphthalene (PubChem CID 139948672) has the molecular formula C15H18Cl2 and a molecular weight of 269.21 g/mol. Its IUPAC name is 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5,7-dichloro-2-pentyl-1,4-dihydronaphthalene
PubChem CID139948672
Molecular FormulaC15H18Cl2
Molecular Weight269.21 g/mol
Exact Mass268.08
IUPAC Name5,7-dichloro-2-pentyl-1,4-dihydronaphthalene
SMILESCCCCCC1=CCc2c(Cl)cc(Cl)cc2C1
InChIInChI=1S/C15H18Cl2/c1-2-3-4-5-11-6-7-14-12(8-11)9-13(16)10-15(14)17/h6,9-10H,2-5,7-8H2,1H3
InChIKeyYUQVVWWYGVJIQS-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.21
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene?
The IUPAC name of 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene (CID 139948672) is 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene.
What is the SMILES notation for 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene?
The canonical SMILES for 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene is CCCCCC1=CCc2c(Cl)cc(Cl)cc2C1.
What is the InChIKey of 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene?
The InChIKey is YUQVVWWYGVJIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2/c1-2-3-4-5-11-6-7-14-12(8-11)9-13(16)10-15(14)17/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene?
5,7-dichloro-2-pentyl-1,4-dihydronaphthalene has a molecular weight of 269.21 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-pentyl-1,4-dihydronaphthalene is sourced from PubChem (CID 139948672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).