5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole

C12H24N4O — CID 134508133

IUPAC5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole
SMILESCCCCCCC(C)(CC)OCc1nn[nH]n1
InChIInChI=1S/C12H24N4O/c1-4-6-7-8-9-12(3,5-2)17-10-11-13-15-16-14-11/h4-10H2,1-3H3,(H,13,14,15,16)
InChIKeyDXKWSHOVHOMUDE-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.86
Rot. Bonds9

About 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole

5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole (PubChem CID 134508133) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole
PubChem CID134508133
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole
SMILESCCCCCCC(C)(CC)OCc1nn[nH]n1
InChIInChI=1S/C12H24N4O/c1-4-6-7-8-9-12(3,5-2)17-10-11-13-15-16-14-11/h4-10H2,1-3H3,(H,13,14,15,16)
InChIKeyDXKWSHOVHOMUDE-UHFFFAOYSA-N
XLogP2.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethyl-3-methylnonyl)-2H-tetrazole
CID 146182533
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole
CID 139320118
5-[(Z)-heptadec-8-enyl]-2H-tetrazole
CID 11088104
3-methoxy-3-methyldodecane
CID 150409844
9-heptoxy-9-methylhenicosane
CID 91127088
2-(3-methylnonan-3-yloxymethyl)oxirane
CID 154930049
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-(2-methylhexan-2-yl)-2H-tetrazole
CID 166949125
2,2-bis(2H-tetrazol-5-yl)tridecan-7-one
CID 91173697
9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole
CID 56673053
2,2-diethoxynonane
CID 89439020

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole?
The IUPAC name of 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole (CID 134508133) is 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole?
The canonical SMILES for 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole is CCCCCCC(C)(CC)OCc1nn[nH]n1.
What is the InChIKey of 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole?
The InChIKey is DXKWSHOVHOMUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-6-7-8-9-12(3,5-2)17-10-11-13-15-16-14-11/h4-10H2,1-3H3,(H,13,14,15,16).
What are the key properties of 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole?
5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole has a molecular weight of 240.35 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole is sourced from PubChem (CID 134508133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).