7-hydroxydec-9-en-2-one

C10H18O2 — CID 10866768

IUPAC7-hydroxydec-9-en-2-one
SMILESC=CCC(O)CCCCC(C)=O
InChIInChI=1S/C10H18O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3,10,12H,1,4-8H2,2H3
InChIKeyOPROWXXEEXVZAE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds7

About 7-hydroxydec-9-en-2-one

7-hydroxydec-9-en-2-one (PubChem CID 10866768) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-hydroxydec-9-en-2-one.

Molecular Properties

Compound Name7-hydroxydec-9-en-2-one
PubChem CID10866768
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7-hydroxydec-9-en-2-one
SMILESC=CCC(O)CCCCC(C)=O
InChIInChI=1S/C10H18O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3,10,12H,1,4-8H2,2H3
InChIKeyOPROWXXEEXVZAE-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-hydroxydec-9-en-2-one?
The IUPAC name of 7-hydroxydec-9-en-2-one (CID 10866768) is 7-hydroxydec-9-en-2-one.
What is the SMILES notation for 7-hydroxydec-9-en-2-one?
The canonical SMILES for 7-hydroxydec-9-en-2-one is C=CCC(O)CCCCC(C)=O.
What is the InChIKey of 7-hydroxydec-9-en-2-one?
The InChIKey is OPROWXXEEXVZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3,10,12H,1,4-8H2,2H3.
What are the key properties of 7-hydroxydec-9-en-2-one?
7-hydroxydec-9-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxydec-9-en-2-one is sourced from PubChem (CID 10866768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).