sodium;ethane;heptadecan-2-one

C19H40NaO+ — CID 167668217

IUPACsodium;ethane;heptadecan-2-one
SMILESCC.CCCCCCCCCCCCCCCC(C)=O.[Na+]
InChIInChI=1S/C17H34O.C2H6.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;1-2;/h3-16H2,1-2H3;1-2H3;/q;;+1
InChIKeyCFYISUNWLQYDTP-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.09
Rot. Bonds14

About sodium;ethane;heptadecan-2-one

sodium;ethane;heptadecan-2-one (PubChem CID 167668217) has the molecular formula C19H40NaO+ and a molecular weight of 307.52 g/mol. Its IUPAC name is sodium;ethane;heptadecan-2-one.

Molecular Properties

Compound Namesodium;ethane;heptadecan-2-one
PubChem CID167668217
Molecular FormulaC19H40NaO+
Molecular Weight307.52 g/mol
Exact Mass307.30
IUPAC Namesodium;ethane;heptadecan-2-one
SMILESCC.CCCCCCCCCCCCCCCC(C)=O.[Na+]
InChIInChI=1S/C17H34O.C2H6.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;1-2;/h3-16H2,1-2H3;1-2H3;/q;;+1
InChIKeyCFYISUNWLQYDTP-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159061487
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Frequently Asked Questions

What is the IUPAC name of sodium;ethane;heptadecan-2-one?
The IUPAC name of sodium;ethane;heptadecan-2-one (CID 167668217) is sodium;ethane;heptadecan-2-one.
What is the SMILES notation for sodium;ethane;heptadecan-2-one?
The canonical SMILES for sodium;ethane;heptadecan-2-one is CC.CCCCCCCCCCCCCCCC(C)=O.[Na+].
What is the InChIKey of sodium;ethane;heptadecan-2-one?
The InChIKey is CFYISUNWLQYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O.C2H6.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;1-2;/h3-16H2,1-2H3;1-2H3;/q;;+1.
What are the key properties of sodium;ethane;heptadecan-2-one?
sodium;ethane;heptadecan-2-one has a molecular weight of 307.52 g/mol, XLogP of 4.09, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane;heptadecan-2-one is sourced from PubChem (CID 167668217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).