(E)-8-hydroxy-5-methylideneoct-6-en-2-one

C9H14O2 — CID 15853373

IUPAC(E)-8-hydroxy-5-methylideneoct-6-en-2-one
SMILESC=C(/C=C/CO)CCC(C)=O
InChIInChI=1S/C9H14O2/c1-8(4-3-7-10)5-6-9(2)11/h3-4,10H,1,5-7H2,2H3/b4-3+
InChIKeyDCNUCRPUGRQVLQ-ONEGZZNKSA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds5

About (E)-8-hydroxy-5-methylideneoct-6-en-2-one

(E)-8-hydroxy-5-methylideneoct-6-en-2-one (PubChem CID 15853373) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-8-hydroxy-5-methylideneoct-6-en-2-one.

Molecular Properties

Compound Name(E)-8-hydroxy-5-methylideneoct-6-en-2-one
PubChem CID15853373
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(E)-8-hydroxy-5-methylideneoct-6-en-2-one
SMILESC=C(/C=C/CO)CCC(C)=O
InChIInChI=1S/C9H14O2/c1-8(4-3-7-10)5-6-9(2)11/h3-4,10H,1,5-7H2,2H3/b4-3+
InChIKeyDCNUCRPUGRQVLQ-ONEGZZNKSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane-2,5-dione
CID 8035
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
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CID 87933185
4-oxopentanoic acid;zinc
CID 87190982
formaldehyde;tris(4-oxopentanoate);rhodium(3+)
CID 22251172
[(2E,4E)-6-hydroxy-3-methylhexa-2,4-dienyl] acetate
CID 88832469
(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
CID 156886752
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
(2E)-6-methylhepta-2,6-dien-1-ol
CID 11105375
(2Z)-6-methylhepta-2,6-dien-1-ol
CID 11217260
(2Z)-4-fluoropenta-2,4-dien-1-ol
CID 147076442

Frequently Asked Questions

What is the IUPAC name of (E)-8-hydroxy-5-methylideneoct-6-en-2-one?
The IUPAC name of (E)-8-hydroxy-5-methylideneoct-6-en-2-one (CID 15853373) is (E)-8-hydroxy-5-methylideneoct-6-en-2-one.
What is the SMILES notation for (E)-8-hydroxy-5-methylideneoct-6-en-2-one?
The canonical SMILES for (E)-8-hydroxy-5-methylideneoct-6-en-2-one is C=C(/C=C/CO)CCC(C)=O.
What is the InChIKey of (E)-8-hydroxy-5-methylideneoct-6-en-2-one?
The InChIKey is DCNUCRPUGRQVLQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(4-3-7-10)5-6-9(2)11/h3-4,10H,1,5-7H2,2H3/b4-3+.
What are the key properties of (E)-8-hydroxy-5-methylideneoct-6-en-2-one?
(E)-8-hydroxy-5-methylideneoct-6-en-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-hydroxy-5-methylideneoct-6-en-2-one is sourced from PubChem (CID 15853373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).