9-(1-ethoxyethoxymethyl)nonadecane

C24H50O2 — CID 88960911

IUPAC9-(1-ethoxyethoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)COC(C)OCC
InChIInChI=1S/C24H50O2/c1-5-8-10-12-14-15-17-19-21-24(22-26-23(4)25-7-3)20-18-16-13-11-9-6-2/h23-24H,5-22H2,1-4H3
InChIKeyGBNPVGHTBKIBBX-UHFFFAOYSA-N
MW370.66 g/mol
LogP8.28
Rot. Bonds21

About 9-(1-ethoxyethoxymethyl)nonadecane

9-(1-ethoxyethoxymethyl)nonadecane (PubChem CID 88960911) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 9-(1-ethoxyethoxymethyl)nonadecane.

Molecular Properties

Compound Name9-(1-ethoxyethoxymethyl)nonadecane
PubChem CID88960911
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name9-(1-ethoxyethoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)COC(C)OCC
InChIInChI=1S/C24H50O2/c1-5-8-10-12-14-15-17-19-21-24(22-26-23(4)25-7-3)20-18-16-13-11-9-6-2/h23-24H,5-22H2,1-4H3
InChIKeyGBNPVGHTBKIBBX-UHFFFAOYSA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethoxyethoxymethyl)henhectane
CID 172814053
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
1-(2-hexyldecoxy)ethanol
CID 21270603
11-[[1-(2-decyltetradecoxy)-3-methylbutoxy]methyl]tricosane
CID 162425536
11-[[1-(2-decyltetradecoxy)-2-methylhexoxy]methyl]tricosane
CID 162425524
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
3-ethoxy-2-methyldodecane
CID 78302637
19-(methoxymethyl)heptatriacontane
CID 59499210
2-ethoxytridecane
CID 54143367
13-methyl-24-tetradecyltritetracontane
CID 173071329
CID 178056197
CID 178056197
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 9-(1-ethoxyethoxymethyl)nonadecane?
The IUPAC name of 9-(1-ethoxyethoxymethyl)nonadecane (CID 88960911) is 9-(1-ethoxyethoxymethyl)nonadecane.
What is the SMILES notation for 9-(1-ethoxyethoxymethyl)nonadecane?
The canonical SMILES for 9-(1-ethoxyethoxymethyl)nonadecane is CCCCCCCCCCC(CCCCCCCC)COC(C)OCC.
What is the InChIKey of 9-(1-ethoxyethoxymethyl)nonadecane?
The InChIKey is GBNPVGHTBKIBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-5-8-10-12-14-15-17-19-21-24(22-26-23(4)25-7-3)20-18-16-13-11-9-6-2/h23-24H,5-22H2,1-4H3.
What are the key properties of 9-(1-ethoxyethoxymethyl)nonadecane?
9-(1-ethoxyethoxymethyl)nonadecane has a molecular weight of 370.66 g/mol, XLogP of 8.28, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethoxyethoxymethyl)nonadecane is sourced from PubChem (CID 88960911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).