11-hydroxy-4-methylundeca-1,6-dien-5-one

C12H20O2 — CID 88845718

IUPAC11-hydroxy-4-methylundeca-1,6-dien-5-one
SMILESC=CCC(C)C(=O)C=CCCCCO
InChIInChI=1S/C12H20O2/c1-3-8-11(2)12(14)9-6-4-5-7-10-13/h3,6,9,11,13H,1,4-5,7-8,10H2,2H3
InChIKeyNNJAVYQLKNLJSD-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.49
Rot. Bonds8

About 11-hydroxy-4-methylundeca-1,6-dien-5-one

11-hydroxy-4-methylundeca-1,6-dien-5-one (PubChem CID 88845718) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 11-hydroxy-4-methylundeca-1,6-dien-5-one.

Molecular Properties

Compound Name11-hydroxy-4-methylundeca-1,6-dien-5-one
PubChem CID88845718
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name11-hydroxy-4-methylundeca-1,6-dien-5-one
SMILESC=CCC(C)C(=O)C=CCCCCO
InChIInChI=1S/C12H20O2/c1-3-8-11(2)12(14)9-6-4-5-7-10-13/h3,6,9,11,13H,1,4-5,7-8,10H2,2H3
InChIKeyNNJAVYQLKNLJSD-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.49
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 5312738
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
acetic acid;11-methyltrideca-9,12-dien-1-ol
CID 71404204
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
methoxymethane;tridec-12-en-1-ol
CID 87674016
(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one
CID 10352717
N-hexan-2-yl-18-hydroxyoctadec-2-enamide
CID 123745631
dodecan-1-ol;octadec-9-en-1-ol;octan-1-ol;propan-2-yl hexadecanoate
CID 173235409
octa-2,7-dienamide
CID 166513974
(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol
CID 10891946

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-4-methylundeca-1,6-dien-5-one?
The IUPAC name of 11-hydroxy-4-methylundeca-1,6-dien-5-one (CID 88845718) is 11-hydroxy-4-methylundeca-1,6-dien-5-one.
What is the SMILES notation for 11-hydroxy-4-methylundeca-1,6-dien-5-one?
The canonical SMILES for 11-hydroxy-4-methylundeca-1,6-dien-5-one is C=CCC(C)C(=O)C=CCCCCO.
What is the InChIKey of 11-hydroxy-4-methylundeca-1,6-dien-5-one?
The InChIKey is NNJAVYQLKNLJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-8-11(2)12(14)9-6-4-5-7-10-13/h3,6,9,11,13H,1,4-5,7-8,10H2,2H3.
What are the key properties of 11-hydroxy-4-methylundeca-1,6-dien-5-one?
11-hydroxy-4-methylundeca-1,6-dien-5-one has a molecular weight of 196.29 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-4-methylundeca-1,6-dien-5-one is sourced from PubChem (CID 88845718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).