(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol

C20H32O3 — CID 134983468

IUPAC(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol
SMILESC/C=C/C=C=CC(C)CC(O)/C=C/CCCOC1CCCCO1
InChIInChI=1S/C20H32O3/c1-3-4-5-7-12-18(2)17-19(21)13-8-6-10-15-22-20-14-9-11-16-23-20/h3-5,8,12-13,18-21H,6,9-11,14-17H2,1-2H3/b4-3+,13-8+
InChIKeyWIMXMIQCWDIPEC-JRWPLQFESA-N
MW320.47 g/mol
LogP4.54
Rot. Bonds10

About (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol

(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol (PubChem CID 134983468) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol.

Molecular Properties

Compound Name(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol
PubChem CID134983468
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol
SMILESC/C=C/C=C=CC(C)CC(O)/C=C/CCCOC1CCCCO1
InChIInChI=1S/C20H32O3/c1-3-4-5-7-12-18(2)17-19(21)13-8-6-10-15-22-20-14-9-11-16-23-20/h3-5,8,12-13,18-21H,6,9-11,14-17H2,1-2H3/b4-3+,13-8+
InChIKeyWIMXMIQCWDIPEC-JRWPLQFESA-N
XLogP4.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol 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

(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol
CID 11402244
(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,12-dien-9-yn-6-ol
CID 134885285
(6S,9E)-2,10-dimethyl-3-(oxan-2-yloxy)dodeca-9,11-dien-4-yn-6-ol
CID 134957086
(1S,4R)-4-[(1Z,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohex-2-en-1-ol
CID 139263466
(1S,2R)-2-[(1Z,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohex-3-en-1-ol
CID 139263467
(6E,8E,10R)-1,1-diethoxy-10-methylhexadeca-6,8-dien-5-ol
CID 166444571
3-t-Butyl-2-methyl-6-(tetrahydropyran-2-yloxy)-hept-4-en-3-ol
CID 5367939
(4E)-2-methyl-8-(oxan-2-yloxy)octa-1,4-dien-3-ol
CID 12986386
(6E)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6-dien-3-ol
CID 21242293
6,10-Dimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
CID 53747079
2,6,10-Trimethyl-12-(oxan-2-yloxy)dodeca-1,6-dien-3-ol
CID 53814107
2,7-Dimethyl-10-(oxan-2-yloxy)deca-1,3,7-trien-5-ol
CID 54403812

Frequently Asked Questions

What is the IUPAC name of (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol?
The IUPAC name of (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol (CID 134983468) is (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol.
What is the SMILES notation for (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol?
The canonical SMILES for (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol is C/C=C/C=C=CC(C)CC(O)/C=C/CCCOC1CCCCO1.
What is the InChIKey of (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol?
The InChIKey is WIMXMIQCWDIPEC-JRWPLQFESA-N. The full InChI is InChI=1S/C20H32O3/c1-3-4-5-7-12-18(2)17-19(21)13-8-6-10-15-22-20-14-9-11-16-23-20/h3-5,8,12-13,18-21H,6,9-11,14-17H2,1-2H3/b4-3+,13-8+.
What are the key properties of (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol?
(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol has a molecular weight of 320.47 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol is sourced from PubChem (CID 134983468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).