(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one

C13H14O3 — CID 145356747

IUPAC(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one
SMILESC=C(O)/C=C\C(=C)C(=O)C(=C)/C=C\C(=C)O
InChIInChI=1S/C13H14O3/c1-9(5-7-11(3)14)13(16)10(2)6-8-12(4)15/h5-8,14-15H,1-4H2/b7-5-,8-6-
InChIKeyUJZZINZLLHUGAD-SFECMWDFSA-N
MW218.25 g/mol
LogP2.92
Rot. Bonds6

About (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one

(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one (PubChem CID 145356747) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one.

Molecular Properties

Compound Name(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one
PubChem CID145356747
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one
SMILESC=C(O)/C=C\C(=C)C(=O)C(=C)/C=C\C(=C)O
InChIInChI=1S/C13H14O3/c1-9(5-7-11(3)14)13(16)10(2)6-8-12(4)15/h5-8,14-15H,1-4H2/b7-5-,8-6-
InChIKeyUJZZINZLLHUGAD-SFECMWDFSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
CID 142923981
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid
CID 88992940
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid
CID 171521730
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
(3Z)-5-[(E)-hydrazinylidenemethyl]hexa-1,3,5-trien-2-ol
CID 143920611
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienoic acid
CID 144580682
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
CID 143019199
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991

Frequently Asked Questions

What is the IUPAC name of (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one?
The IUPAC name of (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one (CID 145356747) is (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one.
What is the SMILES notation for (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one?
The canonical SMILES for (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one is C=C(O)/C=C\C(=C)C(=O)C(=C)/C=C\C(=C)O.
What is the InChIKey of (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one?
The InChIKey is UJZZINZLLHUGAD-SFECMWDFSA-N. The full InChI is InChI=1S/C13H14O3/c1-9(5-7-11(3)14)13(16)10(2)6-8-12(4)15/h5-8,14-15H,1-4H2/b7-5-,8-6-.
What are the key properties of (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one?
(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one has a molecular weight of 218.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one is sourced from PubChem (CID 145356747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).