5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid

C30H32O6 — CID 138543521

IUPAC5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
SMILESO=C(O)CCCCOc1ccc2ccccc2c1.O=C(O)CCCCOc1cccc2ccccc12
InChIInChI=1S/2C15H16O3/c16-15(17)10-3-4-11-18-14-9-5-7-12-6-1-2-8-13(12)14;16-15(17)7-3-4-10-18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-9H,3-4,10-11H2,(H,16,17);1-2,5-6,8-9,11H,3-4,7,10H2,(H,16,17)
InChIKeyKXLLFVRDNQXJSX-UHFFFAOYSA-N
MW488.58 g/mol
LogP6.95
Rot. Bonds12

About 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid

5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid (PubChem CID 138543521) has the molecular formula C30H32O6 and a molecular weight of 488.58 g/mol. Its IUPAC name is 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid.

Molecular Properties

Compound Name5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
PubChem CID138543521
Molecular FormulaC30H32O6
Molecular Weight488.58 g/mol
Exact Mass488.22
IUPAC Name5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
SMILESO=C(O)CCCCOc1ccc2ccccc2c1.O=C(O)CCCCOc1cccc2ccccc12
InChIInChI=1S/2C15H16O3/c16-15(17)10-3-4-11-18-14-9-5-7-12-6-1-2-8-13(12)14;16-15(17)7-3-4-10-18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-9H,3-4,10-11H2,(H,16,17);1-2,5-6,8-9,11H,3-4,7,10H2,(H,16,17)
InChIKeyKXLLFVRDNQXJSX-UHFFFAOYSA-N
XLogP6.95
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 39371628
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5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
CID 143490688
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
1,6-dipentoxynaphthalene
CID 22144299
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
9-phenoxynonanoic acid
CID 15887638
3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
CID 20993650
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid?
The IUPAC name of 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid (CID 138543521) is 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid.
What is the SMILES notation for 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid?
The canonical SMILES for 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid is O=C(O)CCCCOc1ccc2ccccc2c1.O=C(O)CCCCOc1cccc2ccccc12.
What is the InChIKey of 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid?
The InChIKey is KXLLFVRDNQXJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16O3/c16-15(17)10-3-4-11-18-14-9-5-7-12-6-1-2-8-13(12)14;16-15(17)7-3-4-10-18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-9H,3-4,10-11H2,(H,16,17);1-2,5-6,8-9,11H,3-4,7,10H2,(H,16,17).
What are the key properties of 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid?
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid has a molecular weight of 488.58 g/mol, XLogP of 6.95, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid is sourced from PubChem (CID 138543521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).