1-(2H-tetrazol-5-yl)heptyl formate

C9H16N4O2 — CID 91802061

IUPAC1-(2H-tetrazol-5-yl)heptyl formate
SMILESCCCCCCC(OC=O)c1nn[nH]n1
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-6-8(15-7-14)9-10-12-13-11-9/h7-8H,2-6H2,1H3,(H,10,11,12,13)
InChIKeyBBJSXWQGYUUABJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.38
Rot. Bonds8

About 1-(2H-tetrazol-5-yl)heptyl formate

1-(2H-tetrazol-5-yl)heptyl formate (PubChem CID 91802061) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)heptyl formate.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)heptyl formate
PubChem CID91802061
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-(2H-tetrazol-5-yl)heptyl formate
SMILESCCCCCCC(OC=O)c1nn[nH]n1
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-6-8(15-7-14)9-10-12-13-11-9/h7-8H,2-6H2,1H3,(H,10,11,12,13)
InChIKeyBBJSXWQGYUUABJ-UHFFFAOYSA-N
XLogP1.38
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyldodecyl formate
CID 91598065
1-phenylnonyl formate
CID 174585088
1-phenylheptyl formate
CID 174746901
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
CID 71211357
1-hydroxyoctyl formate
CID 54104225
1-aminooctyl formate
CID 174824755
1-(4-phenylsulfanylphenyl)octyl formate
CID 174853555
1-phenylpentyl formate
CID 54289292
3-methylundecan-4-yl formate
CID 23187921

Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)heptyl formate?
The IUPAC name of 1-(2H-tetrazol-5-yl)heptyl formate (CID 91802061) is 1-(2H-tetrazol-5-yl)heptyl formate.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)heptyl formate?
The canonical SMILES for 1-(2H-tetrazol-5-yl)heptyl formate is CCCCCCC(OC=O)c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)heptyl formate?
The InChIKey is BBJSXWQGYUUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-4-5-6-8(15-7-14)9-10-12-13-11-9/h7-8H,2-6H2,1H3,(H,10,11,12,13).
What are the key properties of 1-(2H-tetrazol-5-yl)heptyl formate?
1-(2H-tetrazol-5-yl)heptyl formate has a molecular weight of 212.25 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)heptyl formate is sourced from PubChem (CID 91802061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).