hydroxymethanone;2-undecylpyridine;zinc

C17H28NO2Zn- — CID 87363330

IUPAChydroxymethanone;2-undecylpyridine;zinc
SMILESCCCCCCCCCCCc1ccccn1.O=[C-]O.[Zn]
InChIInChI=1S/C16H27N.CHO2.Zn/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16;2-1-3;/h11-12,14-15H,2-10,13H2,1H3;(H,2,3);/q;-1;
InChIKeyPRUWQHHPKYJYRZ-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.76
Rot. Bonds10

About hydroxymethanone;2-undecylpyridine;zinc

hydroxymethanone;2-undecylpyridine;zinc (PubChem CID 87363330) has the molecular formula C17H28NO2Zn- and a molecular weight of 343.81 g/mol. Its IUPAC name is hydroxymethanone;2-undecylpyridine;zinc.

Molecular Properties

Compound Namehydroxymethanone;2-undecylpyridine;zinc
PubChem CID87363330
Molecular FormulaC17H28NO2Zn-
Molecular Weight343.81 g/mol
Exact Mass342.14
IUPAC Namehydroxymethanone;2-undecylpyridine;zinc
SMILESCCCCCCCCCCCc1ccccn1.O=[C-]O.[Zn]
InChIInChI=1S/C16H27N.CHO2.Zn/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16;2-1-3;/h11-12,14-15H,2-10,13H2,1H3;(H,2,3);/q;-1;
InChIKeyPRUWQHHPKYJYRZ-UHFFFAOYSA-N
XLogP4.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-undecylpyridine
CID 66882765
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
azanium;2-tetradecylpyridine;bromide
CID 157411341
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-hexylpyridine;nitric acid
CID 174876958
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
1-dodecylpyridin-1-ium;2-hexadecylpyridine
CID 175400834
9-pyridin-2-ylnonan-1-ol
CID 12680899
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
CID 71328789

Frequently Asked Questions

What is the IUPAC name of hydroxymethanone;2-undecylpyridine;zinc?
The IUPAC name of hydroxymethanone;2-undecylpyridine;zinc (CID 87363330) is hydroxymethanone;2-undecylpyridine;zinc.
What is the SMILES notation for hydroxymethanone;2-undecylpyridine;zinc?
The canonical SMILES for hydroxymethanone;2-undecylpyridine;zinc is CCCCCCCCCCCc1ccccn1.O=[C-]O.[Zn].
What is the InChIKey of hydroxymethanone;2-undecylpyridine;zinc?
The InChIKey is PRUWQHHPKYJYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.CHO2.Zn/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16;2-1-3;/h11-12,14-15H,2-10,13H2,1H3;(H,2,3);/q;-1;.
What are the key properties of hydroxymethanone;2-undecylpyridine;zinc?
hydroxymethanone;2-undecylpyridine;zinc has a molecular weight of 343.81 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone;2-undecylpyridine;zinc is sourced from PubChem (CID 87363330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).