6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene

C26H46O — CID 141011255

IUPAC6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
SMILESC=C(C=CCC(C)CCCCCC)OC(=C)C=CCC(C)CCCCCC
InChIInChI=1S/C26H46O/c1-7-9-11-13-17-23(3)19-15-21-25(5)27-26(6)22-16-20-24(4)18-14-12-10-8-2/h15-16,21-24H,5-14,17-20H2,1-4H3
InChIKeyAGFJOCNBSPNEAN-UHFFFAOYSA-N
MW374.65 g/mol
LogP9.14
Rot. Bonds18

About 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene

6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene (PubChem CID 141011255) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene.

Molecular Properties

Compound Name6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
PubChem CID141011255
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
SMILESC=C(C=CCC(C)CCCCCC)OC(=C)C=CCC(C)CCCCCC
InChIInChI=1S/C26H46O/c1-7-9-11-13-17-23(3)19-15-21-25(5)27-26(6)22-16-20-24(4)18-14-12-10-8-2/h15-16,21-24H,5-14,17-20H2,1-4H3
InChIKeyAGFJOCNBSPNEAN-UHFFFAOYSA-N
XLogP9.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752281
(3Z)-2,6,10-trimethylhexadeca-1,3-diene
CID 91752282
(Z)-5-methylundec-2-enoic acid
CID 155211364
5-methyltridec-2-en-1-ol
CID 139697199
(E)-6-methylhexadec-3-ene
CID 173194211
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
(E)-10-methyloctadec-7-ene
CID 173194246
(E)-1-ethoxy-4-methyltridec-1-ene
CID 102052028
9,16-dimethyltetracos-11-ene
CID 123705440
8-methyltridec-5-ene
CID 123857568
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-5-methyltetradec-7-ene
CID 173194503

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene?
The IUPAC name of 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene (CID 141011255) is 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene.
What is the SMILES notation for 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene?
The canonical SMILES for 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene is C=C(C=CCC(C)CCCCCC)OC(=C)C=CCC(C)CCCCCC.
What is the InChIKey of 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene?
The InChIKey is AGFJOCNBSPNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-7-9-11-13-17-23(3)19-15-21-25(5)27-26(6)22-16-20-24(4)18-14-12-10-8-2/h15-16,21-24H,5-14,17-20H2,1-4H3.
What are the key properties of 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene?
6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene has a molecular weight of 374.65 g/mol, XLogP of 9.14, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene is sourced from PubChem (CID 141011255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).