6-hydroxy-2-methyloct-1-en-3-one

C9H16O2 — CID 21030553

IUPAC6-hydroxy-2-methyloct-1-en-3-one
SMILESC=C(C)C(=O)CCC(O)CC
InChIInChI=1S/C9H16O2/c1-4-8(10)5-6-9(11)7(2)3/h8,10H,2,4-6H2,1,3H3
InChIKeyVIWPRAIGKBEXTH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds5

About 6-hydroxy-2-methyloct-1-en-3-one

6-hydroxy-2-methyloct-1-en-3-one (PubChem CID 21030553) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-hydroxy-2-methyloct-1-en-3-one.

Molecular Properties

Compound Name6-hydroxy-2-methyloct-1-en-3-one
PubChem CID21030553
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-hydroxy-2-methyloct-1-en-3-one
SMILESC=C(C)C(=O)CCC(O)CC
InChIInChI=1S/C9H16O2/c1-4-8(10)5-6-9(11)7(2)3/h8,10H,2,4-6H2,1,3H3
InChIKeyVIWPRAIGKBEXTH-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-3-methylidenenonan-2-one
CID 11457923
8-Hydroxy-2,6-dimethyloct-1-en-3-one
CID 14168634
4-Hydroxy-3-methylideneundecan-2-one
CID 10867296
4-Hydroxy-3-methylidenedecan-2-one
CID 12556266
5-Hydroxy-4-methylideneoctan-3-one
CID 13205318
(6S)-6-hydroxy-2-methylnon-1-en-4-one
CID 44477839
1-(Cyclohexen-1-yl)-4-hydroxypentan-1-one
CID 85685658
1-(Cyclopenten-1-yl)-4-hydroxypentan-1-one
CID 134922436
1-(Cyclohepten-1-yl)-4-hydroxypentan-1-one
CID 134922454
2-Octanone, 4-hydroxy-3-methylene-
CID 11159455
4,9-Dihydroxy-2-methylnon-1-en-3-one
CID 14120431
4-Hydroxy-2-methyloct-1-en-3-one
CID 14791538

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyloct-1-en-3-one?
The IUPAC name of 6-hydroxy-2-methyloct-1-en-3-one (CID 21030553) is 6-hydroxy-2-methyloct-1-en-3-one.
What is the SMILES notation for 6-hydroxy-2-methyloct-1-en-3-one?
The canonical SMILES for 6-hydroxy-2-methyloct-1-en-3-one is C=C(C)C(=O)CCC(O)CC.
What is the InChIKey of 6-hydroxy-2-methyloct-1-en-3-one?
The InChIKey is VIWPRAIGKBEXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8(10)5-6-9(11)7(2)3/h8,10H,2,4-6H2,1,3H3.
What are the key properties of 6-hydroxy-2-methyloct-1-en-3-one?
6-hydroxy-2-methyloct-1-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyloct-1-en-3-one is sourced from PubChem (CID 21030553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).