4,4-dimethyl-1-nitrosopentane

C7H15NO — CID 89016024

IUPAC4,4-dimethyl-1-nitrosopentane
SMILESCC(C)(C)CCCN=O
InChIInChI=1S/C7H15NO/c1-7(2,3)5-4-6-8-9/h4-6H2,1-3H3
InChIKeyNFCGBUZRYACXED-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.58
Rot. Bonds3

About 4,4-dimethyl-1-nitrosopentane

4,4-dimethyl-1-nitrosopentane (PubChem CID 89016024) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4,4-dimethyl-1-nitrosopentane.

Molecular Properties

Compound Name4,4-dimethyl-1-nitrosopentane
PubChem CID89016024
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4,4-dimethyl-1-nitrosopentane
SMILESCC(C)(C)CCCN=O
InChIInChI=1S/C7H15NO/c1-7(2,3)5-4-6-8-9/h4-6H2,1-3H3
InChIKeyNFCGBUZRYACXED-UHFFFAOYSA-N
XLogP2.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-nitrosopentane?
The IUPAC name of 4,4-dimethyl-1-nitrosopentane (CID 89016024) is 4,4-dimethyl-1-nitrosopentane.
What is the SMILES notation for 4,4-dimethyl-1-nitrosopentane?
The canonical SMILES for 4,4-dimethyl-1-nitrosopentane is CC(C)(C)CCCN=O.
What is the InChIKey of 4,4-dimethyl-1-nitrosopentane?
The InChIKey is NFCGBUZRYACXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)5-4-6-8-9/h4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-nitrosopentane?
4,4-dimethyl-1-nitrosopentane has a molecular weight of 129.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-nitrosopentane is sourced from PubChem (CID 89016024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).