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

C20H34O — CID 22476835

IUPAC3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(CCC=C(C)C)OC(C)(C=C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-9-19(7,15-11-13-17(3)4)21-20(8,10-2)16-12-14-18(5)6/h9-10,13-14H,1-2,11-12,15-16H2,3-8H3
InChIKeyQILDKGDWYOOZEZ-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.39
Rot. Bonds10

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

3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene (PubChem CID 22476835) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
PubChem CID22476835
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(CCC=C(C)C)OC(C)(C=C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-9-19(7,15-11-13-17(3)4)21-20(8,10-2)16-12-14-18(5)6/h9-10,13-14H,1-2,11-12,15-16H2,3-8H3
InChIKeyQILDKGDWYOOZEZ-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 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene with MolForge

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Related Compounds

Nerolidyl acetate
CID 5363426
O-Methyllinalool, (+-)-
CID 108507
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-acetate, (3S,6Z)-
CID 6434513
Ethyl linalyl ether
CID 175211
Z-Nerolidyl acetate
CID 5357157
CID 98043
CID 98043
[(4E,8E)-1,5,9,13-tetramethyl-1-vinyl-tetradeca-4,8,12-trienyl] acetate
CID 11716974
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
CID 25021983
(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
CID 162880600
(3E,5E,7R,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002078
(3Z,5E,7S,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002080
3-(Allyloxy)-3,7-dimethylocta-1,6-diene
CID 85524093

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene?
The IUPAC name of 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene (CID 22476835) is 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene is C=CC(C)(CCC=C(C)C)OC(C)(C=C)CCC=C(C)C.
What is the InChIKey of 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene?
The InChIKey is QILDKGDWYOOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-9-19(7,15-11-13-17(3)4)21-20(8,10-2)16-12-14-18(5)6/h9-10,13-14H,1-2,11-12,15-16H2,3-8H3.
What are the key properties of 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene?
3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-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 3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 22476835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).