1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene

C20H34O — CID 76549407

IUPAC1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
SMILESC=CC(C)(CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3
InChIKeyJUVDBJVBQRAZOR-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.39
Rot. Bonds10

About 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene

1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene (PubChem CID 76549407) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
PubChem CID76549407
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
SMILESC=CC(C)(CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3
InChIKeyJUVDBJVBQRAZOR-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene with MolForge

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Related Compounds

1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
CID 10082427
(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 87863906
tris(3,7-dimethylocta-2,6-dienoxy)methylsilane
CID 3017007
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 25021984
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 5363453
3-(2-ethoxyethoxy)-3,7-dimethylocta-1,6-diene
CID 57288719
phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
CID 123262042
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
CID 52929830
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene (CID 76549407) is 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene is C=CC(C)(CCC=C(C)C)OCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene?
The InChIKey is JUVDBJVBQRAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-8-20(7,15-10-12-18(4)5)21-16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3.
What are the key properties of 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene?
1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene has a molecular weight of 290.49 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 76549407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).