3-methyl-2,4-dinitrosopentan-3-ol

C6H12N2O3 — CID 89221350

IUPAC3-methyl-2,4-dinitrosopentan-3-ol
SMILESCC(N=O)C(C)(O)C(C)N=O
InChIInChI=1S/C6H12N2O3/c1-4(7-10)6(3,9)5(2)8-11/h4-5,9H,1-3H3
InChIKeyNEVGVKPCWILOOQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.05
Rot. Bonds4

About 3-methyl-2,4-dinitrosopentan-3-ol

3-methyl-2,4-dinitrosopentan-3-ol (PubChem CID 89221350) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-methyl-2,4-dinitrosopentan-3-ol.

Molecular Properties

Compound Name3-methyl-2,4-dinitrosopentan-3-ol
PubChem CID89221350
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-methyl-2,4-dinitrosopentan-3-ol
SMILESCC(N=O)C(C)(O)C(C)N=O
InChIInChI=1S/C6H12N2O3/c1-4(7-10)6(3,9)5(2)8-11/h4-5,9H,1-3H3
InChIKeyNEVGVKPCWILOOQ-UHFFFAOYSA-N
XLogP1.05
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dinitrosopentan-3-ol?
The IUPAC name of 3-methyl-2,4-dinitrosopentan-3-ol (CID 89221350) is 3-methyl-2,4-dinitrosopentan-3-ol.
What is the SMILES notation for 3-methyl-2,4-dinitrosopentan-3-ol?
The canonical SMILES for 3-methyl-2,4-dinitrosopentan-3-ol is CC(N=O)C(C)(O)C(C)N=O.
What is the InChIKey of 3-methyl-2,4-dinitrosopentan-3-ol?
The InChIKey is NEVGVKPCWILOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(7-10)6(3,9)5(2)8-11/h4-5,9H,1-3H3.
What are the key properties of 3-methyl-2,4-dinitrosopentan-3-ol?
3-methyl-2,4-dinitrosopentan-3-ol has a molecular weight of 160.17 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dinitrosopentan-3-ol is sourced from PubChem (CID 89221350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).