4-hydroxy-4-methylnona-1,2-dien-5-one

C10H16O2 — CID 101114666

IUPAC4-hydroxy-4-methylnona-1,2-dien-5-one
SMILESC=C=CC(C)(O)C(=O)CCCC
InChIInChI=1S/C10H16O2/c1-4-6-7-9(11)10(3,12)8-5-2/h8,12H,2,4,6-7H2,1,3H3
InChIKeyOJEXVYPZMMZADI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.84
Rot. Bonds5

About 4-hydroxy-4-methylnona-1,2-dien-5-one

4-hydroxy-4-methylnona-1,2-dien-5-one (PubChem CID 101114666) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-4-methylnona-1,2-dien-5-one.

Molecular Properties

Compound Name4-hydroxy-4-methylnona-1,2-dien-5-one
PubChem CID101114666
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-4-methylnona-1,2-dien-5-one
SMILESC=C=CC(C)(O)C(=O)CCCC
InChIInChI=1S/C10H16O2/c1-4-6-7-9(11)10(3,12)8-5-2/h8,12H,2,4,6-7H2,1,3H3
InChIKeyOJEXVYPZMMZADI-UHFFFAOYSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylnona-1,2-dien-5-one?
The IUPAC name of 4-hydroxy-4-methylnona-1,2-dien-5-one (CID 101114666) is 4-hydroxy-4-methylnona-1,2-dien-5-one.
What is the SMILES notation for 4-hydroxy-4-methylnona-1,2-dien-5-one?
The canonical SMILES for 4-hydroxy-4-methylnona-1,2-dien-5-one is C=C=CC(C)(O)C(=O)CCCC.
What is the InChIKey of 4-hydroxy-4-methylnona-1,2-dien-5-one?
The InChIKey is OJEXVYPZMMZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-7-9(11)10(3,12)8-5-2/h8,12H,2,4,6-7H2,1,3H3.
What are the key properties of 4-hydroxy-4-methylnona-1,2-dien-5-one?
4-hydroxy-4-methylnona-1,2-dien-5-one has a molecular weight of 168.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylnona-1,2-dien-5-one is sourced from PubChem (CID 101114666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).