(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one

C15H20O2 — CID 142047884

IUPAC(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one
SMILESC/C=C\C=C(/C=C\C)C(=O)C(=C/C)/C(O)=C\C
InChIInChI=1S/C15H20O2/c1-5-9-11-12(10-6-2)15(17)13(7-3)14(16)8-4/h5-11,16H,1-4H3/b9-5-,10-6-,12-11+,13-7+,14-8+
InChIKeyGSCIRRWONDQVKV-OGTRUACRSA-N
MW232.32 g/mol
LogP4.04
Rot. Bonds5

About (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one

(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one (PubChem CID 142047884) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one.

Molecular Properties

Compound Name(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one
PubChem CID142047884
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one
SMILESC/C=C\C=C(/C=C\C)C(=O)C(=C/C)/C(O)=C\C
InChIInChI=1S/C15H20O2/c1-5-9-11-12(10-6-2)15(17)13(7-3)14(16)8-4/h5-11,16H,1-4H3/b9-5-,10-6-,12-11+,13-7+,14-8+
InChIKeyGSCIRRWONDQVKV-OGTRUACRSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
2-but-2-enylidenepropanedioic acid
CID 54310127
(2Z,3E)-2,3-bis[(E)-but-2-enylidene]butanedioic acid
CID 141155384
(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
(2E)-2-ethylidenepent-3-enoic acid
CID 162183190
(3E,5Z)-3-ethenyl-1,1-difluorohepta-3,5-dien-2-one
CID 145079056
2-chlorohexa-2,4-dienoic acid
CID 54548904
(2Z,4E)-2-chlorohexa-2,4-dienoic acid
CID 14647350
[(5E,6Z,10E,12Z)-5-ethylidene-4,4-dimethyl-2-(methylamino)-8-methylidene-9-oxo-10-[(Z)-prop-1-enyl]tetradeca-6,10,12-trien-2-yl] hypobromite
CID 174322728
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one?
The IUPAC name of (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one (CID 142047884) is (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one.
What is the SMILES notation for (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one?
The canonical SMILES for (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one is C/C=C\C=C(/C=C\C)C(=O)C(=C/C)/C(O)=C\C.
What is the InChIKey of (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one?
The InChIKey is GSCIRRWONDQVKV-OGTRUACRSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-9-11-12(10-6-2)15(17)13(7-3)14(16)8-4/h5-11,16H,1-4H3/b9-5-,10-6-,12-11+,13-7+,14-8+.
What are the key properties of (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one?
(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one has a molecular weight of 232.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one is sourced from PubChem (CID 142047884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).