2-nonoxybenzoic acid;zinc

C16H24O3Zn — CID 70396181

IUPAC2-nonoxybenzoic acid;zinc
SMILESCCCCCCCCCOc1ccccc1C(=O)O.[Zn]
InChIInChI=1S/C16H24O3.Zn/c1-2-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18;/h8-9,11-12H,2-7,10,13H2,1H3,(H,17,18);
InChIKeyDALNSWPMPAGCGP-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.51
Rot. Bonds10

About 2-nonoxybenzoic acid;zinc

2-nonoxybenzoic acid;zinc (PubChem CID 70396181) has the molecular formula C16H24O3Zn and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-nonoxybenzoic acid;zinc.

Molecular Properties

Compound Name2-nonoxybenzoic acid;zinc
PubChem CID70396181
Molecular FormulaC16H24O3Zn
Molecular Weight329.75 g/mol
Exact Mass328.10
IUPAC Name2-nonoxybenzoic acid;zinc
SMILESCCCCCCCCCOc1ccccc1C(=O)O.[Zn]
InChIInChI=1S/C16H24O3.Zn/c1-2-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18;/h8-9,11-12H,2-7,10,13H2,1H3,(H,17,18);
InChIKeyDALNSWPMPAGCGP-UHFFFAOYSA-N
XLogP4.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87443191
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
2-pentoxybenzoic acid;hydrochloride
CID 70416265
2-(3-pentoxypropoxy)benzoic acid
CID 63074508
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-(12-hexylsulfanyldodecoxy)benzoic acid
CID 139706112
2-(2-pentoxybenzoyl)oxybenzoic acid
CID 54855144
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
2-(3-hydroxyhexadecoxy)benzoic acid
CID 139706137
3-hexoxy-2-methylbenzoic acid
CID 82826739
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
2-phenyl-3-tridecoxybenzoic acid
CID 70434237

Frequently Asked Questions

What is the IUPAC name of 2-nonoxybenzoic acid;zinc?
The IUPAC name of 2-nonoxybenzoic acid;zinc (CID 70396181) is 2-nonoxybenzoic acid;zinc.
What is the SMILES notation for 2-nonoxybenzoic acid;zinc?
The canonical SMILES for 2-nonoxybenzoic acid;zinc is CCCCCCCCCOc1ccccc1C(=O)O.[Zn].
What is the InChIKey of 2-nonoxybenzoic acid;zinc?
The InChIKey is DALNSWPMPAGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3.Zn/c1-2-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18;/h8-9,11-12H,2-7,10,13H2,1H3,(H,17,18);.
What are the key properties of 2-nonoxybenzoic acid;zinc?
2-nonoxybenzoic acid;zinc has a molecular weight of 329.75 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonoxybenzoic acid;zinc is sourced from PubChem (CID 70396181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).