(3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one

C10H16O3 — CID 10921190

IUPAC(3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one
SMILESC/C=C/C=C/C(=O)C[C@@H](O)CCO
InChIInChI=1S/C10H16O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,10-11,13H,6-8H2,1H3/b3-2+,5-4+/t10-/m0/s1
InChIKeyHEBWYFWQEUKRPQ-PQSAUHCHSA-N
MW184.24 g/mol
LogP0.82
Rot. Bonds6

About (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one

(3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one (PubChem CID 10921190) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one.

Molecular Properties

Compound Name(3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one
PubChem CID10921190
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one
SMILESC/C=C/C=C/C(=O)C[C@@H](O)CCO
InChIInChI=1S/C10H16O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,10-11,13H,6-8H2,1H3/b3-2+,5-4+/t10-/m0/s1
InChIKeyHEBWYFWQEUKRPQ-PQSAUHCHSA-N
XLogP0.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one?
The IUPAC name of (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one (CID 10921190) is (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one.
What is the SMILES notation for (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one?
The canonical SMILES for (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one is C/C=C/C=C/C(=O)C[C@@H](O)CCO.
What is the InChIKey of (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one?
The InChIKey is HEBWYFWQEUKRPQ-PQSAUHCHSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,10-11,13H,6-8H2,1H3/b3-2+,5-4+/t10-/m0/s1.
What are the key properties of (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one?
(3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one has a molecular weight of 184.24 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E,8E)-1,3-dihydroxydeca-6,8-dien-5-one is sourced from PubChem (CID 10921190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).