decanoate;hydron

C10H20O2 — CID 135373094

IUPACdecanoate;hydron
SMILESCCCCCCCCCC(=O)[O-].[H+]
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKeyGHVNFZFCNZKVNT-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.99
Rot. Bonds8

About decanoate;hydron

decanoate;hydron (PubChem CID 135373094) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is decanoate;hydron.

Molecular Properties

Compound Namedecanoate;hydron
PubChem CID135373094
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedecanoate;hydron
SMILESCCCCCCCCCC(=O)[O-].[H+]
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKeyGHVNFZFCNZKVNT-UHFFFAOYSA-N
XLogP1.99
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.99
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 decanoate;hydron?
The IUPAC name of decanoate;hydron (CID 135373094) is decanoate;hydron.
What is the SMILES notation for decanoate;hydron?
The canonical SMILES for decanoate;hydron is CCCCCCCCCC(=O)[O-].[H+].
What is the InChIKey of decanoate;hydron?
The InChIKey is GHVNFZFCNZKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12).
What are the key properties of decanoate;hydron?
decanoate;hydron has a molecular weight of 172.27 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanoate;hydron is sourced from PubChem (CID 135373094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).