(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate

C17H30O3 — CID 173356213

IUPAC(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
SMILESCCC(C)(O)CCC=C(C)CCC=C(C)COC(C)=O
InChIInChI=1S/C17H30O3/c1-6-17(5,19)12-8-11-14(2)9-7-10-15(3)13-20-16(4)18/h10-11,19H,6-9,12-13H2,1-5H3
InChIKeyVALUMHKFTNCNHX-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.16
Rot. Bonds9

About (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate

(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate (PubChem CID 173356213) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate.

Molecular Properties

Compound Name(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
PubChem CID173356213
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
SMILESCCC(C)(O)CCC=C(C)CCC=C(C)COC(C)=O
InChIInChI=1S/C17H30O3/c1-6-17(5,19)12-8-11-14(2)9-7-10-15(3)13-20-16(4)18/h10-11,19H,6-9,12-13H2,1-5H3
InChIKeyVALUMHKFTNCNHX-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) 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

[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
3,7,11-trimethylhexadeca-6,10-dien-3-ol
CID 72571502
[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
CID 10827791
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
CID 11310159
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
[7-(acetyloxymethyl)-15-hydroxy-3,11,15-trimethyl-14-oxohexadeca-2,6,10-trienyl] acetate
CID 162908539
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2-methyldec-2-enyl acetate
CID 123999734
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
ethyl (6E)-2,2,7,11-tetramethyl-3-oxododeca-6,10-dienoate
CID 71815721
11-hydroxy-1-methoxy-3,7,11-trimethyltrideca-3,7,12-trien-2-one
CID 57042220

Frequently Asked Questions

What is the IUPAC name of (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate?
The IUPAC name of (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate (CID 173356213) is (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate.
What is the SMILES notation for (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate?
The canonical SMILES for (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate is CCC(C)(O)CCC=C(C)CCC=C(C)COC(C)=O.
What is the InChIKey of (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate?
The InChIKey is VALUMHKFTNCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-6-17(5,19)12-8-11-14(2)9-7-10-15(3)13-20-16(4)18/h10-11,19H,6-9,12-13H2,1-5H3.
What are the key properties of (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate?
(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate has a molecular weight of 282.42 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate is sourced from PubChem (CID 173356213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).