1-(3,7-dimethylocta-2,6-dienoxy)hexadecane

C26H50O — CID 72752481

IUPAC1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
SMILESCCCCCCCCCCCCCCCCOCC=C(C)CCC=C(C)C
InChIInChI=1S/C26H50O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24-22-26(4)21-19-20-25(2)3/h20,22H,5-19,21,23-24H2,1-4H3
InChIKeySZZIHCBQSNOAES-UHFFFAOYSA-N
MW378.69 g/mol
LogP9.18
Rot. Bonds20

About 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane

1-(3,7-dimethylocta-2,6-dienoxy)hexadecane (PubChem CID 72752481) has the molecular formula C26H50O and a molecular weight of 378.69 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane.

Molecular Properties

Compound Name1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
PubChem CID72752481
Molecular FormulaC26H50O
Molecular Weight378.69 g/mol
Exact Mass378.39
IUPAC Name1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
SMILESCCCCCCCCCCCCCCCCOCC=C(C)CCC=C(C)C
InChIInChI=1S/C26H50O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24-22-26(4)21-19-20-25(2)3/h20,22H,5-19,21,23-24H2,1-4H3
InChIKeySZZIHCBQSNOAES-UHFFFAOYSA-N
XLogP9.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
CID 90808858
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadecane;1-(3,7,11-trimethyldodecoxy)octadecane
CID 159018519
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane
CID 91697248
2,6-dimethyltetradeca-2,6-diene
CID 57189781
10-O-[(2E)-3,7-dimethylocta-2,6-dienyl] 1-O-octyl decanedioate
CID 91695258
[(2E)-3,7-dimethylocta-2,6-dienyl] dodecanoate
CID 6114709
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
3,7-dimethylocta-2,6-dienyl pentadecanoate
CID 173120607
1-O-pentyl 4-O-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] butanedioate
CID 118506626
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] decanoate
CID 56935986
(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
CID 21082896

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane?
The IUPAC name of 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane (CID 72752481) is 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane.
What is the SMILES notation for 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane?
The canonical SMILES for 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane is CCCCCCCCCCCCCCCCOCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane?
The InChIKey is SZZIHCBQSNOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24-22-26(4)21-19-20-25(2)3/h20,22H,5-19,21,23-24H2,1-4H3.
What are the key properties of 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane?
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane has a molecular weight of 378.69 g/mol, XLogP of 9.18, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-2,6-dienoxy)hexadecane is sourced from PubChem (CID 72752481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).