(5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione

C20H32O4 — CID 162881288

IUPAC(5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione
SMILESC=C[C@@](C)(O)CC(=O)C[C@H](C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C
InChIInChI=1S/C20H32O4/c1-7-20(6,24)13-17(21)12-15(4)9-8-10-16(5)19(23)18(22)11-14(2)3/h7,10-11,15,19,23-24H,1,8-9,12-13H2,2-6H3/b16-10+/t15-,19+,20-/m1/s1
InChIKeyJOFTXFOZCKYIKJ-QRCNWBRVSA-N
MW336.47 g/mol
LogP3.53
Rot. Bonds11

About (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione

(5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione (PubChem CID 162881288) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione.

Molecular Properties

Compound Name(5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione
PubChem CID162881288
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione
SMILESC=C[C@@](C)(O)CC(=O)C[C@H](C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C
InChIInChI=1S/C20H32O4/c1-7-20(6,24)13-17(21)12-15(4)9-8-10-16(5)19(23)18(22)11-14(2)3/h7,10-11,15,19,23-24H,1,8-9,12-13H2,2-6H3/b16-10+/t15-,19+,20-/m1/s1
InChIKeyJOFTXFOZCKYIKJ-QRCNWBRVSA-N
XLogP3.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione?
The IUPAC name of (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione (CID 162881288) is (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione.
What is the SMILES notation for (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione?
The canonical SMILES for (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione is C=C[C@@](C)(O)CC(=O)C[C@H](C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C.
What is the InChIKey of (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione?
The InChIKey is JOFTXFOZCKYIKJ-QRCNWBRVSA-N. The full InChI is InChI=1S/C20H32O4/c1-7-20(6,24)13-17(21)12-15(4)9-8-10-16(5)19(23)18(22)11-14(2)3/h7,10-11,15,19,23-24H,1,8-9,12-13H2,2-6H3/b16-10+/t15-,19+,20-/m1/s1.
What are the key properties of (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione?
(5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione has a molecular weight of 336.47 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6E,10R,14S)-5,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,15-triene-4,12-dione is sourced from PubChem (CID 162881288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).