1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene

C32H54O3 — CID 54055377

IUPAC1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CCOC(C)(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C32H54O3/c1-26(2)14-11-17-29(7)20-23-33-32(10,34-24-21-30(8)18-12-15-27(3)4)35-25-22-31(9)19-13-16-28(5)6/h14-16,20-22H,11-13,17-19,23-25H2,1-10H3
InChIKeyLVWCAKMZEKPMNK-UHFFFAOYSA-N
MW486.78 g/mol
LogP9.79
Rot. Bonds18

About 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene

1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene (PubChem CID 54055377) has the molecular formula C32H54O3 and a molecular weight of 486.78 g/mol. Its IUPAC name is 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
PubChem CID54055377
Molecular FormulaC32H54O3
Molecular Weight486.78 g/mol
Exact Mass486.41
IUPAC Name1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CCOC(C)(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C32H54O3/c1-26(2)14-11-17-29(7)20-23-33-32(10,34-24-21-30(8)18-12-15-27(3)4)35-25-22-31(9)19-13-16-28(5)6/h14-16,20-22H,11-13,17-19,23-25H2,1-10H3
InChIKeyLVWCAKMZEKPMNK-UHFFFAOYSA-N
XLogP9.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.78
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
CID 10082427
tris(3,7-dimethylocta-2,6-dienoxy)methylsilane
CID 3017007
1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 76549407
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene (CID 54055377) is 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene is CC(C)=CCCC(C)=CCOC(C)(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene?
The InChIKey is LVWCAKMZEKPMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O3/c1-26(2)14-11-17-29(7)20-23-33-32(10,34-24-21-30(8)18-12-15-27(3)4)35-25-22-31(9)19-13-16-28(5)6/h14-16,20-22H,11-13,17-19,23-25H2,1-10H3.
What are the key properties of 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene?
1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene has a molecular weight of 486.78 g/mol, XLogP of 9.79, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 54055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).