(5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one

C18H32O3 — CID 23426355

IUPAC(5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C18H32O3/c1-14(10-7-11-16(3)19)8-6-9-15(2)12-13-17(20)18(4,5)21/h9-10,17,20-21H,6-8,11-13H2,1-5H3/b14-10+,15-9+/t17-/m1/s1
InChIKeyANMUQNHDGYFRPB-VRJBOTSMSA-N
MW296.45 g/mol
LogP3.94
Rot. Bonds10

About (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one

(5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one (PubChem CID 23426355) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
PubChem CID23426355
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C18H32O3/c1-14(10-7-11-16(3)19)8-6-9-15(2)12-13-17(20)18(4,5)21/h9-10,17,20-21H,6-8,11-13H2,1-5H3/b14-10+,15-9+/t17-/m1/s1
InChIKeyANMUQNHDGYFRPB-VRJBOTSMSA-N
XLogP3.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
CID 11465741
Capilloquinone
CID 46210742
(2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
CID 44448282
(5E,9E,13R)-13-hydroxy-14-methoxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
CID 25015886
(3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
CID 162894420
(6E,10E,14E)-2,16-dihydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-4-one
CID 21778302
Plastoquinone 2
CID 11962107
2,3,22,23-Tetrahydroxy-2,6,10,15,19,23-hexamethyl-6,10,14,18-tetracosatetraene
CID 72972196
2,16-Dihydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-4-one
CID 73837995
2-Hydroxymethyl-2,3,22,23-tetrahydroxy-6,10,15,19,23-pentamethyl-6,10,14,18-tetracosatetraene
CID 74332597
(6E,10E,14S)-14-hydroxy-2,6,10-trimethylpentadeca-6,10-dien-4-one
CID 162843031
(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
CID 162894418

Frequently Asked Questions

What is the IUPAC name of (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one?
The IUPAC name of (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one (CID 23426355) is (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one is CC(=O)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one?
The InChIKey is ANMUQNHDGYFRPB-VRJBOTSMSA-N. The full InChI is InChI=1S/C18H32O3/c1-14(10-7-11-16(3)19)8-6-9-15(2)12-13-17(20)18(4,5)21/h9-10,17,20-21H,6-8,11-13H2,1-5H3/b14-10+,15-9+/t17-/m1/s1.
What are the key properties of (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one?
(5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one has a molecular weight of 296.45 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13R)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one is sourced from PubChem (CID 23426355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).