5-chloro-2-heptyl-1,4-dihydronaphthalene

C17H23Cl — CID 139960771

IUPAC5-chloro-2-heptyl-1,4-dihydronaphthalene
SMILESCCCCCCCC1=CCc2c(Cl)cccc2C1
InChIInChI=1S/C17H23Cl/c1-2-3-4-5-6-8-14-11-12-16-15(13-14)9-7-10-17(16)18/h7,9-11H,2-6,8,12-13H2,1H3
InChIKeyGSUKFVAMZVVGRZ-UHFFFAOYSA-N
MW262.82 g/mol
LogP5.73
Rot. Bonds6

About 5-chloro-2-heptyl-1,4-dihydronaphthalene

5-chloro-2-heptyl-1,4-dihydronaphthalene (PubChem CID 139960771) has the molecular formula C17H23Cl and a molecular weight of 262.82 g/mol. Its IUPAC name is 5-chloro-2-heptyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5-chloro-2-heptyl-1,4-dihydronaphthalene
PubChem CID139960771
Molecular FormulaC17H23Cl
Molecular Weight262.82 g/mol
Exact Mass262.15
IUPAC Name5-chloro-2-heptyl-1,4-dihydronaphthalene
SMILESCCCCCCCC1=CCc2c(Cl)cccc2C1
InChIInChI=1S/C17H23Cl/c1-2-3-4-5-6-8-14-11-12-16-15(13-14)9-7-10-17(16)18/h7,9-11H,2-6,8,12-13H2,1H3
InChIKeyGSUKFVAMZVVGRZ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.82
LogP ≤ 55.73
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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Related Compounds

5,7-dichloro-2-pentyl-1,4-dihydronaphthalene
CID 139948672
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
5-fluoro-2-hexyl-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960719
1-pentylcyclopropene
CID 159067584
3-chloro-2-heptylphenol
CID 71090054
2-pentyl-1H-phenalene
CID 175230709
2-pentyl-9,10-bis(propoxymethoxy)-1,4-dihydroanthracene
CID 153323114
2-butyl-7-fluoro-1,4-dihydronaphthalene
CID 139961729
1-chloro-2-pentyl-3-propan-2-ylbenzene
CID 173336336
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139960788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-heptyl-1,4-dihydronaphthalene?
The IUPAC name of 5-chloro-2-heptyl-1,4-dihydronaphthalene (CID 139960771) is 5-chloro-2-heptyl-1,4-dihydronaphthalene.
What is the SMILES notation for 5-chloro-2-heptyl-1,4-dihydronaphthalene?
The canonical SMILES for 5-chloro-2-heptyl-1,4-dihydronaphthalene is CCCCCCCC1=CCc2c(Cl)cccc2C1.
What is the InChIKey of 5-chloro-2-heptyl-1,4-dihydronaphthalene?
The InChIKey is GSUKFVAMZVVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl/c1-2-3-4-5-6-8-14-11-12-16-15(13-14)9-7-10-17(16)18/h7,9-11H,2-6,8,12-13H2,1H3.
What are the key properties of 5-chloro-2-heptyl-1,4-dihydronaphthalene?
5-chloro-2-heptyl-1,4-dihydronaphthalene has a molecular weight of 262.82 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-heptyl-1,4-dihydronaphthalene is sourced from PubChem (CID 139960771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).