CID 88753128

C19H40NaO3 — CID 88753128

IUPAC—
SMILESCCCCC(CC)COCC(O)COCC(CC)CCCC.[Na]
InChIInChI=1S/C19H40O3.Na/c1-5-9-11-17(7-3)13-21-15-19(20)16-22-14-18(8-4)12-10-6-2;/h17-20H,5-16H2,1-4H3;
InChIKeyKZWXNEIQJVLSIY-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.43
Rot. Bonds16

About CID 88753128

CID 88753128 (PubChem CID 88753128) has the molecular formula C19H40NaO3 and a molecular weight of 339.52 g/mol.

Molecular Properties

Compound NameCID 88753128
PubChem CID88753128
Molecular FormulaC19H40NaO3
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name—
SMILESCCCCC(CC)COCC(O)COCC(CC)CCCC.[Na]
InChIInChI=1S/C19H40O3.Na/c1-5-9-11-17(7-3)13-21-15-19(20)16-22-14-18(8-4)12-10-6-2;/h17-20H,5-16H2,1-4H3;
InChIKeyKZWXNEIQJVLSIY-UHFFFAOYSA-N
XLogP4.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
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(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
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(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112
2-ethylhexoxymethanol
CID 18783221
1-(2-propylhexoxy)butan-2-ol
CID 58918426
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
[(2R)-3-[(2R)-2-ethylhexoxy]-2-hydroxypropyl] hexadecanoate
CID 76968327
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303

Frequently Asked Questions

What is the IUPAC name of CID 88753128?
The IUPAC name of CID 88753128 (CID 88753128) is not available.
What is the SMILES notation for CID 88753128?
The canonical SMILES for CID 88753128 is CCCCC(CC)COCC(O)COCC(CC)CCCC.[Na].
What is the InChIKey of CID 88753128?
The InChIKey is KZWXNEIQJVLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3.Na/c1-5-9-11-17(7-3)13-21-15-19(20)16-22-14-18(8-4)12-10-6-2;/h17-20H,5-16H2,1-4H3;.
What are the key properties of CID 88753128?
CID 88753128 has a molecular weight of 339.52 g/mol, XLogP of 4.43, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88753128 is sourced from PubChem (CID 88753128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).