2,3-dimethoxy-1-nitrosopentane

C7H15NO3 — CID 163864356

IUPAC2,3-dimethoxy-1-nitrosopentane
SMILESCCC(OC)C(CN=O)OC
InChIInChI=1S/C7H15NO3/c1-4-6(10-2)7(11-3)5-8-9/h6-7H,4-5H2,1-3H3
InChIKeyPFIMVGJMAGZKAA-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.19
Rot. Bonds6

About 2,3-dimethoxy-1-nitrosopentane

2,3-dimethoxy-1-nitrosopentane (PubChem CID 163864356) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,3-dimethoxy-1-nitrosopentane.

Molecular Properties

Compound Name2,3-dimethoxy-1-nitrosopentane
PubChem CID163864356
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2,3-dimethoxy-1-nitrosopentane
SMILESCCC(OC)C(CN=O)OC
InChIInChI=1S/C7H15NO3/c1-4-6(10-2)7(11-3)5-8-9/h6-7H,4-5H2,1-3H3
InChIKeyPFIMVGJMAGZKAA-UHFFFAOYSA-N
XLogP1.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1,2,3-trimethoxypentane
CID 167509153
2,3-dimethyl-1-nitrosopentane
CID 146748606
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
2-iodo-1-nitrosobutane
CID 146931102
tris(3-methoxyheptan-4-yl) phosphate
CID 154210175
2-hydroxy-3-methoxypentanamide
CID 131162764
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
3-methoxypentane-1,2-diamine
CID 131111146
4-methoxy-2-methylhexan-3-ol
CID 116710715
N-(3-methoxyheptan-4-yl)methanimine
CID 155199608
3-methoxyheptan-4-ol
CID 54045994
4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one
CID 139925610

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1-nitrosopentane?
The IUPAC name of 2,3-dimethoxy-1-nitrosopentane (CID 163864356) is 2,3-dimethoxy-1-nitrosopentane.
What is the SMILES notation for 2,3-dimethoxy-1-nitrosopentane?
The canonical SMILES for 2,3-dimethoxy-1-nitrosopentane is CCC(OC)C(CN=O)OC.
What is the InChIKey of 2,3-dimethoxy-1-nitrosopentane?
The InChIKey is PFIMVGJMAGZKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-6(10-2)7(11-3)5-8-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethoxy-1-nitrosopentane?
2,3-dimethoxy-1-nitrosopentane has a molecular weight of 161.20 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1-nitrosopentane is sourced from PubChem (CID 163864356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).