(2R)-heptan-2-ol;methane;O-methylhydroxylamine

C9H25NO2 — CID 142521484

IUPAC(2R)-heptan-2-ol;methane;O-methylhydroxylamine
SMILESC.CCCCC[C@@H](C)O.CON
InChIInChI=1S/C7H16O.CH5NO.CH4/c1-3-4-5-6-7(2)8;1-3-2;/h7-8H,3-6H2,1-2H3;2H2,1H3;1H4/t7-;;/m1../s1
InChIKeyZGYXVZFGMYNHPA-XCUBXKJBSA-N
MW179.30 g/mol
LogP2.09
Rot. Bonds4

About (2R)-heptan-2-ol;methane;O-methylhydroxylamine

(2R)-heptan-2-ol;methane;O-methylhydroxylamine (PubChem CID 142521484) has the molecular formula C9H25NO2 and a molecular weight of 179.30 g/mol. Its IUPAC name is (2R)-heptan-2-ol;methane;O-methylhydroxylamine.

Molecular Properties

Compound Name(2R)-heptan-2-ol;methane;O-methylhydroxylamine
PubChem CID142521484
Molecular FormulaC9H25NO2
Molecular Weight179.30 g/mol
Exact Mass179.19
IUPAC Name(2R)-heptan-2-ol;methane;O-methylhydroxylamine
SMILESC.CCCCC[C@@H](C)O.CON
InChIInChI=1S/C7H16O.CH5NO.CH4/c1-3-4-5-6-7(2)8;1-3-2;/h7-8H,3-6H2,1-2H3;2H2,1H3;1H4/t7-;;/m1../s1
InChIKeyZGYXVZFGMYNHPA-XCUBXKJBSA-N
XLogP2.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptan-2-ol;hydroxylamine
CID 88625997
(2R)-heptan-2-ol
CID 6992611
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(2S)-heptan-2-ol;hydrochloride
CID 141119609
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
methanamine;octadecan-2-ol;hydrochloride
CID 173318083
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
sodium;hydride;nonan-2-ol
CID 174316439

Frequently Asked Questions

What is the IUPAC name of (2R)-heptan-2-ol;methane;O-methylhydroxylamine?
The IUPAC name of (2R)-heptan-2-ol;methane;O-methylhydroxylamine (CID 142521484) is (2R)-heptan-2-ol;methane;O-methylhydroxylamine.
What is the SMILES notation for (2R)-heptan-2-ol;methane;O-methylhydroxylamine?
The canonical SMILES for (2R)-heptan-2-ol;methane;O-methylhydroxylamine is C.CCCCC[C@@H](C)O.CON.
What is the InChIKey of (2R)-heptan-2-ol;methane;O-methylhydroxylamine?
The InChIKey is ZGYXVZFGMYNHPA-XCUBXKJBSA-N. The full InChI is InChI=1S/C7H16O.CH5NO.CH4/c1-3-4-5-6-7(2)8;1-3-2;/h7-8H,3-6H2,1-2H3;2H2,1H3;1H4/t7-;;/m1../s1.
What are the key properties of (2R)-heptan-2-ol;methane;O-methylhydroxylamine?
(2R)-heptan-2-ol;methane;O-methylhydroxylamine has a molecular weight of 179.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-heptan-2-ol;methane;O-methylhydroxylamine is sourced from PubChem (CID 142521484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).