2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene

C16H28O2 — CID 54386558

IUPAC2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene
SMILESC=C(CCC=C(C)CCC=C(C)C)C(OC)OC
InChIInChI=1S/C16H28O2/c1-13(2)9-7-10-14(3)11-8-12-15(4)16(17-5)18-6/h9,11,16H,4,7-8,10,12H2,1-3,5-6H3
InChIKeyVDQHMLAROWVUAU-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.63
Rot. Bonds9

About 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene

2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene (PubChem CID 54386558) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene
PubChem CID54386558
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene
SMILESC=C(CCC=C(C)CCC=C(C)C)C(OC)OC
InChIInChI=1S/C16H28O2/c1-13(2)9-7-10-14(3)11-8-12-15(4)16(17-5)18-6/h9,11,16H,4,7-8,10,12H2,1-3,5-6H3
InChIKeyVDQHMLAROWVUAU-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
CID 52929831
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(5Z,9E)-6-(dimethoxymethyl)-1,1-dimethoxy-10,14-dimethylpentadeca-5,9,13-trien-2-one
CID 19844979
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2R)-7-methyl-3-methylideneoct-6-en-2-ol
CID 10953746

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene?
The IUPAC name of 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene (CID 54386558) is 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene.
What is the SMILES notation for 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene?
The canonical SMILES for 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene is C=C(CCC=C(C)CCC=C(C)C)C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene?
The InChIKey is VDQHMLAROWVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-13(2)9-7-10-14(3)11-8-12-15(4)16(17-5)18-6/h9,11,16H,4,7-8,10,12H2,1-3,5-6H3.
What are the key properties of 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene?
2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene has a molecular weight of 252.40 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene is sourced from PubChem (CID 54386558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).