9-methoxy-1-nitrosodecan-5-ol

C11H23NO3 — CID 154980449

IUPAC9-methoxy-1-nitrosodecan-5-ol
SMILESCOC(C)CCCC(O)CCCCN=O
InChIInChI=1S/C11H23NO3/c1-10(15-2)6-5-8-11(13)7-3-4-9-12-14/h10-11,13H,3-9H2,1-2H3
InChIKeyYGILYODBOWWSCI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds10

About 9-methoxy-1-nitrosodecan-5-ol

9-methoxy-1-nitrosodecan-5-ol (PubChem CID 154980449) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 9-methoxy-1-nitrosodecan-5-ol.

Molecular Properties

Compound Name9-methoxy-1-nitrosodecan-5-ol
PubChem CID154980449
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name9-methoxy-1-nitrosodecan-5-ol
SMILESCOC(C)CCCC(O)CCCCN=O
InChIInChI=1S/C11H23NO3/c1-10(15-2)6-5-8-11(13)7-3-4-9-12-14/h10-11,13H,3-9H2,1-2H3
InChIKeyYGILYODBOWWSCI-UHFFFAOYSA-N
XLogP2.49
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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6-methoxy-2-methylheptan-1-ol
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ethane;2-methoxyhexane
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7-methoxy-3-methyloctanal
CID 71429921
2-methoxy-6,10-dimethyltridecane
CID 91615428
3-hydroxy-46-methoxy-2-tetracosylheptatetracontanoic acid
CID 171118956
5-(5-methoxyhexoxy)hexan-1-ol
CID 165144322
methane;5-methoxyhexyl(trimethyl)azanium
CID 158505301
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1-nitrosodecan-5-ol?
The IUPAC name of 9-methoxy-1-nitrosodecan-5-ol (CID 154980449) is 9-methoxy-1-nitrosodecan-5-ol.
What is the SMILES notation for 9-methoxy-1-nitrosodecan-5-ol?
The canonical SMILES for 9-methoxy-1-nitrosodecan-5-ol is COC(C)CCCC(O)CCCCN=O.
What is the InChIKey of 9-methoxy-1-nitrosodecan-5-ol?
The InChIKey is YGILYODBOWWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(15-2)6-5-8-11(13)7-3-4-9-12-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 9-methoxy-1-nitrosodecan-5-ol?
9-methoxy-1-nitrosodecan-5-ol has a molecular weight of 217.31 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1-nitrosodecan-5-ol is sourced from PubChem (CID 154980449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).