zinc;pentadecane;prop-1-en-2-olate

C18H36OZn — CID 175933455

IUPACzinc;pentadecane;prop-1-en-2-olate
SMILESC=C(C)[O-].[CH2-]CCCCCCCCCCCCCC.[Zn+2]
InChIInChI=1S/C15H31.C3H6O.Zn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(2)4;/h1,3-15H2,2H3;4H,1H2,2H3;/q-1;;+2/p-1
InChIKeyGWMARUOQVPVTHC-UHFFFAOYSA-M
MW333.88 g/mol
LogP5.79
Rot. Bonds12

About zinc;pentadecane;prop-1-en-2-olate

zinc;pentadecane;prop-1-en-2-olate (PubChem CID 175933455) has the molecular formula C18H36OZn and a molecular weight of 333.88 g/mol. Its IUPAC name is zinc;pentadecane;prop-1-en-2-olate.

Molecular Properties

Compound Namezinc;pentadecane;prop-1-en-2-olate
PubChem CID175933455
Molecular FormulaC18H36OZn
Molecular Weight333.88 g/mol
Exact Mass332.21
IUPAC Namezinc;pentadecane;prop-1-en-2-olate
SMILESC=C(C)[O-].[CH2-]CCCCCCCCCCCCCC.[Zn+2]
InChIInChI=1S/C15H31.C3H6O.Zn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(2)4;/h1,3-15H2,2H3;4H,1H2,2H3;/q-1;;+2/p-1
InChIKeyGWMARUOQVPVTHC-UHFFFAOYSA-M
XLogP5.79
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.88
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

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heptadecane
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methanol;octadecane;titanium
CID 87743640
acetate;pentadecane;titanium(2+)
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dodecane;zirconium
CID 148549415
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CID 154114371
bis(octane);zinc
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CID 59340167
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196

Frequently Asked Questions

What is the IUPAC name of zinc;pentadecane;prop-1-en-2-olate?
The IUPAC name of zinc;pentadecane;prop-1-en-2-olate (CID 175933455) is zinc;pentadecane;prop-1-en-2-olate.
What is the SMILES notation for zinc;pentadecane;prop-1-en-2-olate?
The canonical SMILES for zinc;pentadecane;prop-1-en-2-olate is C=C(C)[O-].[CH2-]CCCCCCCCCCCCCC.[Zn+2].
What is the InChIKey of zinc;pentadecane;prop-1-en-2-olate?
The InChIKey is GWMARUOQVPVTHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31.C3H6O.Zn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(2)4;/h1,3-15H2,2H3;4H,1H2,2H3;/q-1;;+2/p-1.
What are the key properties of zinc;pentadecane;prop-1-en-2-olate?
zinc;pentadecane;prop-1-en-2-olate has a molecular weight of 333.88 g/mol, XLogP of 5.79, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;pentadecane;prop-1-en-2-olate is sourced from PubChem (CID 175933455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).