7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene

C41H60O4 — CID 54253605

IUPAC7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
SMILESC=CC(=C)CCC=C(C)COC(OCC(C)=CCCC(=C)C=C)(OCC(C)=CCCC(=C)C=C)OCC(C)=CCCC(=C)C=C
InChIInChI=1S/C41H60O4/c1-13-33(5)21-17-25-37(9)29-42-41(43-30-38(10)26-18-22-34(6)14-2,44-31-39(11)27-19-23-35(7)15-3)45-32-40(12)28-20-24-36(8)16-4/h13-16,25-28H,1-8,17-24,29-32H2,9-12H3
InChIKeyQYMCCFFBTRTZBQ-UHFFFAOYSA-N
MW616.93 g/mol
LogP11.54
Rot. Bonds28

About 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene

7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene (PubChem CID 54253605) has the molecular formula C41H60O4 and a molecular weight of 616.93 g/mol. Its IUPAC name is 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene.

Molecular Properties

Compound Name7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
PubChem CID54253605
Molecular FormulaC41H60O4
Molecular Weight616.93 g/mol
Exact Mass616.45
IUPAC Name7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
SMILESC=CC(=C)CCC=C(C)COC(OCC(C)=CCCC(=C)C=C)(OCC(C)=CCCC(=C)C=C)OCC(C)=CCCC(=C)C=C
InChIInChI=1S/C41H60O4/c1-13-33(5)21-17-25-37(9)29-42-41(43-30-38(10)26-18-22-34(6)14-2,44-31-39(11)27-19-23-35(7)15-3)45-32-40(12)28-20-24-36(8)16-4/h13-16,25-28H,1-8,17-24,29-32H2,9-12H3
InChIKeyQYMCCFFBTRTZBQ-UHFFFAOYSA-N
XLogP11.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.93
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene with MolForge

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Related Compounds

[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
2,2-dimethyl-3-[(3Z)-3-methyl-7-methylidenenona-3,8-dienyl]oxirane
CID 102406914
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 146877130
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885
2,6-dimethylocta-2,6-dienyl prop-2-enoate
CID 54293274

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene?
The IUPAC name of 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene (CID 54253605) is 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene.
What is the SMILES notation for 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene?
The canonical SMILES for 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene is C=CC(=C)CCC=C(C)COC(OCC(C)=CCCC(=C)C=C)(OCC(C)=CCCC(=C)C=C)OCC(C)=CCCC(=C)C=C.
What is the InChIKey of 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene?
The InChIKey is QYMCCFFBTRTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H60O4/c1-13-33(5)21-17-25-37(9)29-42-41(43-30-38(10)26-18-22-34(6)14-2,44-31-39(11)27-19-23-35(7)15-3)45-32-40(12)28-20-24-36(8)16-4/h13-16,25-28H,1-8,17-24,29-32H2,9-12H3.
What are the key properties of 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene?
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene has a molecular weight of 616.93 g/mol, XLogP of 11.54, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene is sourced from PubChem (CID 54253605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).