disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride

C19H32N4Na2O3 — CID 173315832

IUPACdisodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
SMILESCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C19H30N4O3.2Na.2H/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18;;;;/h12-13,24H,5-11H2,1-4H3,(H,20,21,22,23);;;;/q;2*+1;2*-1
InChIKeyHICVFJUBHXYZNZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP-1.98
Rot. Bonds11

About disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride

disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride (PubChem CID 173315832) has the molecular formula C19H32N4Na2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride.

Molecular Properties

Compound Namedisodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
PubChem CID173315832
Molecular FormulaC19H32N4Na2O3
Molecular Weight410.47 g/mol
Exact Mass410.23
IUPAC Namedisodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
SMILESCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C19H30N4O3.2Na.2H/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18;;;;/h12-13,24H,5-11H2,1-4H3,(H,20,21,22,23);;;;/q;2*+1;2*-1
InChIKeyHICVFJUBHXYZNZ-UHFFFAOYSA-N
XLogP-1.98
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyloxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol
CID 18963059
2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol
CID 10206349
CID 70149515
CID 70149515
sodium 2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate
CID 23669744
5-(2-methylhexan-2-yl)-2H-tetrazole
CID 166949125
7-[2-ethyl-5-hydroxy-4-(2-nitrosoethyl)phenoxy]-2,2-dimethylheptanoic acid
CID 54416416
6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylhexanenitrile
CID 15747301
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
CID 102285591
CID 102285591
4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol
CID 10695364
3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoic acid
CID 10793318
4-ethoxy-2,6-diethyl-3-methylphenol
CID 162375052

Frequently Asked Questions

What is the IUPAC name of disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
The IUPAC name of disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride (CID 173315832) is disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride.
What is the SMILES notation for disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
The canonical SMILES for disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride is CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
The InChIKey is HICVFJUBHXYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.2Na.2H/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18;;;;/h12-13,24H,5-11H2,1-4H3,(H,20,21,22,23);;;;/q;2*+1;2*-1.
What are the key properties of disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride has a molecular weight of 410.47 g/mol, XLogP of -1.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride is sourced from PubChem (CID 173315832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).