(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one

C13H22O2 — CID 162767085

IUPAC(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
SMILESC=CC(=O)C/C(C)=C\CCC(C)CCO
InChIInChI=1S/C13H22O2/c1-4-13(15)10-12(3)7-5-6-11(2)8-9-14/h4,7,11,14H,1,5-6,8-10H2,2-3H3/b12-7-
InChIKeyGQUXXOQNCJWOIP-GHXNOFRVSA-N
MW210.32 g/mol
LogP2.88
Rot. Bonds8

About (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one

(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one (PubChem CID 162767085) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one.

Molecular Properties

Compound Name(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
PubChem CID162767085
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
SMILESC=CC(=O)C/C(C)=C\CCC(C)CCO
InChIInChI=1S/C13H22O2/c1-4-13(15)10-12(3)7-5-6-11(2)8-9-14/h4,7,11,14H,1,5-6,8-10H2,2-3H3/b12-7-
InChIKeyGQUXXOQNCJWOIP-GHXNOFRVSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7-dimethyloct-6-en-1-ol;hepta-1,5-dien-4-one
CID 174765010
(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
CID 6476237
(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid
CID 6476240
acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
CID 174949943

Frequently Asked Questions

What is the IUPAC name of (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one?
The IUPAC name of (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one (CID 162767085) is (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one.
What is the SMILES notation for (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one?
The canonical SMILES for (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one is C=CC(=O)C/C(C)=C\CCC(C)CCO.
What is the InChIKey of (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one?
The InChIKey is GQUXXOQNCJWOIP-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-13(15)10-12(3)7-5-6-11(2)8-9-14/h4,7,11,14H,1,5-6,8-10H2,2-3H3/b12-7-.
What are the key properties of (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one?
(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one has a molecular weight of 210.32 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one is sourced from PubChem (CID 162767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).