10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one

C16H29NO3 — CID 91063377

IUPAC10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one
SMILESCC(O)C(C)CC=CCCCCC(=O)N1CCOCC1
InChIInChI=1S/C16H29NO3/c1-14(15(2)18)8-6-4-3-5-7-9-16(19)17-10-12-20-13-11-17/h4,6,14-15,18H,3,5,7-13H2,1-2H3
InChIKeyOQUDFEVTWNFHIV-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.37
Rot. Bonds8

About 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one

10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one (PubChem CID 91063377) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one.

Molecular Properties

Compound Name10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one
PubChem CID91063377
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one
SMILESCC(O)C(C)CC=CCCCCC(=O)N1CCOCC1
InChIInChI=1S/C16H29NO3/c1-14(15(2)18)8-6-4-3-5-7-9-16(19)17-10-12-20-13-11-17/h4,6,14-15,18H,3,5,7-13H2,1-2H3
InChIKeyOQUDFEVTWNFHIV-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one?
The IUPAC name of 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one (CID 91063377) is 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one.
What is the SMILES notation for 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one?
The canonical SMILES for 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one is CC(O)C(C)CC=CCCCCC(=O)N1CCOCC1.
What is the InChIKey of 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one?
The InChIKey is OQUDFEVTWNFHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-14(15(2)18)8-6-4-3-5-7-9-16(19)17-10-12-20-13-11-17/h4,6,14-15,18H,3,5,7-13H2,1-2H3.
What are the key properties of 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one?
10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one has a molecular weight of 283.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9-methyl-1-morpholin-4-ylundec-6-en-1-one is sourced from PubChem (CID 91063377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).