sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate

C20H41NaO2 — CID 174628407

IUPACsodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate
SMILESCC=C(OC(=CC)C(CC)CCCC)C(CC)CCCC.O.[H-].[Na+]
InChIInChI=1S/C20H38O.Na.H2O.H/c1-7-13-15-17(9-3)19(11-5)21-20(12-6)18(10-4)16-14-8-2;;;/h11-12,17-18H,7-10,13-16H2,1-6H3;;1H2;/q;+1;;-1
InChIKeyBOEOUGTYGBHGMM-UHFFFAOYSA-N
MW336.54 g/mol
LogP3.54
Rot. Bonds12

About sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate

sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate (PubChem CID 174628407) has the molecular formula C20H41NaO2 and a molecular weight of 336.54 g/mol. Its IUPAC name is sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate.

Molecular Properties

Compound Namesodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate
PubChem CID174628407
Molecular FormulaC20H41NaO2
Molecular Weight336.54 g/mol
Exact Mass336.30
IUPAC Namesodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate
SMILESCC=C(OC(=CC)C(CC)CCCC)C(CC)CCCC.O.[H-].[Na+]
InChIInChI=1S/C20H38O.Na.H2O.H/c1-7-13-15-17(9-3)19(11-5)21-20(12-6)18(10-4)16-14-8-2;;;/h11-12,17-18H,7-10,13-16H2,1-6H3;;1H2;/q;+1;;-1
InChIKeyBOEOUGTYGBHGMM-UHFFFAOYSA-N
XLogP3.54
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate?
The IUPAC name of sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate (CID 174628407) is sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate.
What is the SMILES notation for sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate?
The canonical SMILES for sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate is CC=C(OC(=CC)C(CC)CCCC)C(CC)CCCC.O.[H-].[Na+].
What is the InChIKey of sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate?
The InChIKey is BOEOUGTYGBHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O.Na.H2O.H/c1-7-13-15-17(9-3)19(11-5)21-20(12-6)18(10-4)16-14-8-2;;;/h11-12,17-18H,7-10,13-16H2,1-6H3;;1H2;/q;+1;;-1.
What are the key properties of sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate?
sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate has a molecular weight of 336.54 g/mol, XLogP of 3.54, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-ethyl-3-(4-ethyloct-2-en-3-yloxy)oct-2-ene;hydride;hydrate is sourced from PubChem (CID 174628407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).