1-hydroxy-9-methyldec-2-yn-4-one

C11H18O2 — CID 11137759

IUPAC1-hydroxy-9-methyldec-2-yn-4-one
SMILESCC(C)CCCCC(=O)C#CCO
InChIInChI=1S/C11H18O2/c1-10(2)6-3-4-7-11(13)8-5-9-12/h10,12H,3-4,6-7,9H2,1-2H3
InChIKeyRZMSPPPTXDTBGU-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.77
Rot. Bonds5

About 1-hydroxy-9-methyldec-2-yn-4-one

1-hydroxy-9-methyldec-2-yn-4-one (PubChem CID 11137759) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-hydroxy-9-methyldec-2-yn-4-one.

Molecular Properties

Compound Name1-hydroxy-9-methyldec-2-yn-4-one
PubChem CID11137759
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-hydroxy-9-methyldec-2-yn-4-one
SMILESCC(C)CCCCC(=O)C#CCO
InChIInChI=1S/C11H18O2/c1-10(2)6-3-4-7-11(13)8-5-9-12/h10,12H,3-4,6-7,9H2,1-2H3
InChIKeyRZMSPPPTXDTBGU-UHFFFAOYSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-9-methyldec-2-yn-4-one?
The IUPAC name of 1-hydroxy-9-methyldec-2-yn-4-one (CID 11137759) is 1-hydroxy-9-methyldec-2-yn-4-one.
What is the SMILES notation for 1-hydroxy-9-methyldec-2-yn-4-one?
The canonical SMILES for 1-hydroxy-9-methyldec-2-yn-4-one is CC(C)CCCCC(=O)C#CCO.
What is the InChIKey of 1-hydroxy-9-methyldec-2-yn-4-one?
The InChIKey is RZMSPPPTXDTBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-3-4-7-11(13)8-5-9-12/h10,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-hydroxy-9-methyldec-2-yn-4-one?
1-hydroxy-9-methyldec-2-yn-4-one has a molecular weight of 182.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9-methyldec-2-yn-4-one is sourced from PubChem (CID 11137759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).