[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate

C17H28O4 — CID 10827791

IUPAC[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
SMILESC=C[C@@](C)(O)C[C@@H](O)/C=C(\C)CC/C=C(\C)COC(C)=O
InChIInChI=1S/C17H28O4/c1-6-17(5,20)11-16(19)10-13(2)8-7-9-14(3)12-21-15(4)18/h6,9-10,16,19-20H,1,7-8,11-12H2,2-5H3/b13-10+,14-9+/t16-,17+/m0/s1
InChIKeyRWIWWVYFTIGTBC-LSBUTNNPSA-N
MW296.41 g/mol
LogP2.91
Rot. Bonds9

About [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate

[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate (PubChem CID 10827791) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate.

Molecular Properties

Compound Name[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
PubChem CID10827791
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
SMILESC=C[C@@](C)(O)C[C@@H](O)/C=C(\C)CC/C=C(\C)COC(C)=O
InChIInChI=1S/C17H28O4/c1-6-17(5,20)11-16(19)10-13(2)8-7-9-14(3)12-21-15(4)18/h6,9-10,16,19-20H,1,7-8,11-12H2,2-5H3/b13-10+,14-9+/t16-,17+/m0/s1
InChIKeyRWIWWVYFTIGTBC-LSBUTNNPSA-N
XLogP2.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6E,8S,10E,12R,14S)-12,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-8-yl] acetate
CID 163101575
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
CID 10734640
(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
CID 173356213
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(3S,5S,6E,10Z)-12-acetyloxy-3-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-5-yl]oxyoxan-2-yl]methyl acetate
CID 162866311
[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
CID 162965161
(6-hydroxy-2,6-dimethylocta-2,7-dienyl) octadec-9-enoate
CID 163081879
11-hydroxy-1-methoxy-3,7,11-trimethyltrideca-3,7,12-trien-2-one
CID 57042220
[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
CID 11310159
2,6-dimethylocta-2,6-dienyl prop-2-enoate
CID 54293274
[7-(acetyloxymethyl)-15-hydroxy-3,11,15-trimethyl-14-oxohexadeca-2,6,10-trienyl] acetate
CID 162908539

Frequently Asked Questions

What is the IUPAC name of [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate?
The IUPAC name of [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate (CID 10827791) is [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate.
What is the SMILES notation for [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate?
The canonical SMILES for [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate is C=C[C@@](C)(O)C[C@@H](O)/C=C(\C)CC/C=C(\C)COC(C)=O.
What is the InChIKey of [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate?
The InChIKey is RWIWWVYFTIGTBC-LSBUTNNPSA-N. The full InChI is InChI=1S/C17H28O4/c1-6-17(5,20)11-16(19)10-13(2)8-7-9-14(3)12-21-15(4)18/h6,9-10,16,19-20H,1,7-8,11-12H2,2-5H3/b13-10+,14-9+/t16-,17+/m0/s1.
What are the key properties of [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate?
[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate has a molecular weight of 296.41 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate is sourced from PubChem (CID 10827791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).