(6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one

C15H24O3 — CID 14021432

IUPAC(6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
SMILESC=CC(C)(O)CC/C=C(\C)C(O)C(=O)C=C(C)C
InChIInChI=1S/C15H24O3/c1-6-15(5,18)9-7-8-12(4)14(17)13(16)10-11(2)3/h6,8,10,14,17-18H,1,7,9H2,2-5H3/b12-8+
InChIKeyXYWBLAUDERPPOJ-XYOKQWHBSA-N
MW252.35 g/mol
LogP2.55
Rot. Bonds7

About (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one

(6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one (PubChem CID 14021432) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one.

Molecular Properties

Compound Name(6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
PubChem CID14021432
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
SMILESC=CC(C)(O)CC/C=C(\C)C(O)C(=O)C=C(C)C
InChIInChI=1S/C15H24O3/c1-6-15(5,18)9-7-8-12(4)14(17)13(16)10-11(2)3/h6,8,10,14,17-18H,1,7,9H2,2-5H3/b12-8+
InChIKeyXYWBLAUDERPPOJ-XYOKQWHBSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
The IUPAC name of (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one (CID 14021432) is (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one.
What is the SMILES notation for (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
The canonical SMILES for (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one is C=CC(C)(O)CC/C=C(\C)C(O)C(=O)C=C(C)C.
What is the InChIKey of (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
The InChIKey is XYWBLAUDERPPOJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-15(5,18)9-7-8-12(4)14(17)13(16)10-11(2)3/h6,8,10,14,17-18H,1,7,9H2,2-5H3/b12-8+.
What are the key properties of (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
(6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one has a molecular weight of 252.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one is sourced from PubChem (CID 14021432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).