2,3-dimethylpent-4-en-2-yl nitrite

C7H13NO2 — CID 88930288

IUPAC2,3-dimethylpent-4-en-2-yl nitrite
SMILESC=CC(C)C(C)(C)ON=O
InChIInChI=1S/C7H13NO2/c1-5-6(2)7(3,4)10-8-9/h5-6H,1H2,2-4H3
InChIKeyNGTDUVIIUDXHQS-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.29
Rot. Bonds4

About 2,3-dimethylpent-4-en-2-yl nitrite

2,3-dimethylpent-4-en-2-yl nitrite (PubChem CID 88930288) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,3-dimethylpent-4-en-2-yl nitrite.

Molecular Properties

Compound Name2,3-dimethylpent-4-en-2-yl nitrite
PubChem CID88930288
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,3-dimethylpent-4-en-2-yl nitrite
SMILESC=CC(C)C(C)(C)ON=O
InChIInChI=1S/C7H13NO2/c1-5-6(2)7(3,4)10-8-9/h5-6H,1H2,2-4H3
InChIKeyNGTDUVIIUDXHQS-UHFFFAOYSA-N
XLogP2.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-4-en-2-yl nitrite?
The IUPAC name of 2,3-dimethylpent-4-en-2-yl nitrite (CID 88930288) is 2,3-dimethylpent-4-en-2-yl nitrite.
What is the SMILES notation for 2,3-dimethylpent-4-en-2-yl nitrite?
The canonical SMILES for 2,3-dimethylpent-4-en-2-yl nitrite is C=CC(C)C(C)(C)ON=O.
What is the InChIKey of 2,3-dimethylpent-4-en-2-yl nitrite?
The InChIKey is NGTDUVIIUDXHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-6(2)7(3,4)10-8-9/h5-6H,1H2,2-4H3.
What are the key properties of 2,3-dimethylpent-4-en-2-yl nitrite?
2,3-dimethylpent-4-en-2-yl nitrite has a molecular weight of 143.19 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-4-en-2-yl nitrite is sourced from PubChem (CID 88930288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).