2,3,4,4-tetramethylpentan-2-yl nitrite

C9H19NO2 — CID 22170421

IUPAC2,3,4,4-tetramethylpentan-2-yl nitrite
SMILESCC(C(C)(C)C)C(C)(C)ON=O
InChIInChI=1S/C9H19NO2/c1-7(8(2,3)4)9(5,6)12-10-11/h7H,1-6H3
InChIKeyJQQRWHNRRFGHJQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.15
Rot. Bonds3

About 2,3,4,4-tetramethylpentan-2-yl nitrite

2,3,4,4-tetramethylpentan-2-yl nitrite (PubChem CID 22170421) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,3,4,4-tetramethylpentan-2-yl nitrite.

Molecular Properties

Compound Name2,3,4,4-tetramethylpentan-2-yl nitrite
PubChem CID22170421
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2,3,4,4-tetramethylpentan-2-yl nitrite
SMILESCC(C(C)(C)C)C(C)(C)ON=O
InChIInChI=1S/C9H19NO2/c1-7(8(2,3)4)9(5,6)12-10-11/h7H,1-6H3
InChIKeyJQQRWHNRRFGHJQ-UHFFFAOYSA-N
XLogP3.15
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylpent-4-en-2-yl nitrite
CID 88930288
tert-butyl nitrite;hydrobromide
CID 121397756
[2-methyl-3-(sulfanylmethyl)pent-4-en-2-yl] nitrite
CID 90920679
(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
CID 169306113
[3-(disulfanylmethyl)-2-methylpent-4-en-2-yl] nitrite
CID 91230790
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium
CID 157296443
(3R)-2-amino-3,4,4-trimethylpentan-2-ol
CID 139473324
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
bis(2,3,4-trimethylpentan-2-yl) (Z)-but-2-enedioate
CID 88826242
CID 173497678
CID 173497678
trimethyl-(3,4,4-trimethyl-2-trimethylsilylpentan-2-yl)silane
CID 10848841

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethylpentan-2-yl nitrite?
The IUPAC name of 2,3,4,4-tetramethylpentan-2-yl nitrite (CID 22170421) is 2,3,4,4-tetramethylpentan-2-yl nitrite.
What is the SMILES notation for 2,3,4,4-tetramethylpentan-2-yl nitrite?
The canonical SMILES for 2,3,4,4-tetramethylpentan-2-yl nitrite is CC(C(C)(C)C)C(C)(C)ON=O.
What is the InChIKey of 2,3,4,4-tetramethylpentan-2-yl nitrite?
The InChIKey is JQQRWHNRRFGHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(8(2,3)4)9(5,6)12-10-11/h7H,1-6H3.
What are the key properties of 2,3,4,4-tetramethylpentan-2-yl nitrite?
2,3,4,4-tetramethylpentan-2-yl nitrite has a molecular weight of 173.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethylpentan-2-yl nitrite is sourced from PubChem (CID 22170421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).