(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid

C15H26O4 — CID 15825764

IUPAC(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
SMILESC/C(=C\C(=O)O)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)/b11-6+,12-10+
InChIKeyUULZSWLWBGEDTD-BFPRWLMKSA-N
MW270.37 g/mol
LogP2.66
Rot. Bonds8

About (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid

(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid (PubChem CID 15825764) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid.

Molecular Properties

Compound Name(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
PubChem CID15825764
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
SMILESC/C(=C\C(=O)O)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)/b11-6+,12-10+
InChIKeyUULZSWLWBGEDTD-BFPRWLMKSA-N
XLogP2.66
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.66
H-Bond Donors ≤ 53
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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Related Compounds

(2Z,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 156580639
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
[(3R,6E,10E,14E,18E,22R)-2,22,23-trihydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraen-3-yl] acetate
CID 24801245
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(2,3,22,23-tetrahydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraenyl) acetate
CID 74319233
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(3-acetyloxy-2,22,23-trihydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraenyl) acetate
CID 74319234
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
3,7,11-trimethyl-10-oxododeca-2,6,11-trienoic acid
CID 54551052
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
CID 162814763
2-(14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl)-5-methylcyclohexa-2,5-diene-1,4-dione
CID 75149545

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid?
The IUPAC name of (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid (CID 15825764) is (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid.
What is the SMILES notation for (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid?
The canonical SMILES for (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid is C/C(=C\C(=O)O)CC/C=C(\C)CCC(O)C(C)(C)O.
What is the InChIKey of (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid?
The InChIKey is UULZSWLWBGEDTD-BFPRWLMKSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)/b11-6+,12-10+.
What are the key properties of (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid?
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid is sourced from PubChem (CID 15825764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).