sodium 2-ethylhexan-1-olate

C8H17NaO — CID 23669613

IUPACsodium 2-ethylhexan-1-olate
SMILESCCCCC(CC)C[O-].[Na+]
InChIInChI=1S/C8H17O.Na/c1-3-5-6-8(4-2)7-9;/h8H,3-7H2,1-2H3;/q-1;+1
InChIKeyBFDXQZBRSCAZOY-UHFFFAOYSA-N
MW152.21 g/mol
LogP-1.43
Rot. Bonds5

About sodium 2-ethylhexan-1-olate

sodium 2-ethylhexan-1-olate (PubChem CID 23669613) has the molecular formula C8H17NaO and a molecular weight of 152.21 g/mol. Its IUPAC name is sodium 2-ethylhexan-1-olate.

Molecular Properties

Compound Namesodium 2-ethylhexan-1-olate
PubChem CID23669613
Molecular FormulaC8H17NaO
Molecular Weight152.21 g/mol
Exact Mass152.12
IUPAC Namesodium 2-ethylhexan-1-olate
SMILESCCCCC(CC)C[O-].[Na+]
InChIInChI=1S/C8H17O.Na/c1-3-5-6-8(4-2)7-9;/h8H,3-7H2,1-2H3;/q-1;+1
InChIKeyBFDXQZBRSCAZOY-UHFFFAOYSA-N
XLogP-1.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Butoxymethyl)heptane
CID 522064
Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
Sulfurous acid, 2-ethylhexyl isohexyl ester
CID 6420722
2-Ethyl-1-hexanol, methyl ether
CID 14795002
1-Isobutoxy-2-ethylhexane
CID 545495
1-Methoxy-2-methylhexane
CID 14868104
(2-Ethyl-hexoxy)silane
CID 22186351
Methyl 2-propylhexyl ether
CID 59274500
2-Ethylhexan-1-olate;rubidium(1+)
CID 87215334
3,5-Dimethylhexyl methyl ether
CID 87509083
3-(Ethoxymethyl)heptane
CID 21252455

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethylhexan-1-olate?
The IUPAC name of sodium 2-ethylhexan-1-olate (CID 23669613) is sodium 2-ethylhexan-1-olate.
What is the SMILES notation for sodium 2-ethylhexan-1-olate?
The canonical SMILES for sodium 2-ethylhexan-1-olate is CCCCC(CC)C[O-].[Na+].
What is the InChIKey of sodium 2-ethylhexan-1-olate?
The InChIKey is BFDXQZBRSCAZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.Na/c1-3-5-6-8(4-2)7-9;/h8H,3-7H2,1-2H3;/q-1;+1.
What are the key properties of sodium 2-ethylhexan-1-olate?
sodium 2-ethylhexan-1-olate has a molecular weight of 152.21 g/mol, XLogP of -1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethylhexan-1-olate is sourced from PubChem (CID 23669613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).