hexadecanoate;hydron

C16H32O2 — CID 135369651

IUPAChexadecanoate;hydron
SMILESCCCCCCCCCCCCCCCC(=O)[O-].[H+]
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.33
Rot. Bonds14

About hexadecanoate;hydron

hexadecanoate;hydron (PubChem CID 135369651) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is hexadecanoate;hydron.

Molecular Properties

Compound Namehexadecanoate;hydron
PubChem CID135369651
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Namehexadecanoate;hydron
SMILESCCCCCCCCCCCCCCCC(=O)[O-].[H+]
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
XLogP4.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexadecanoate;hydron?
The IUPAC name of hexadecanoate;hydron (CID 135369651) is hexadecanoate;hydron.
What is the SMILES notation for hexadecanoate;hydron?
The canonical SMILES for hexadecanoate;hydron is CCCCCCCCCCCCCCCC(=O)[O-].[H+].
What is the InChIKey of hexadecanoate;hydron?
The InChIKey is IPCSVZSSVZVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18).
What are the key properties of hexadecanoate;hydron?
hexadecanoate;hydron has a molecular weight of 256.43 g/mol, XLogP of 4.33, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoate;hydron is sourced from PubChem (CID 135369651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).