4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene

C18H30O — CID 54464581

IUPAC4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene
SMILESC=CCC(C)CC=CCOCC=CCC(C)CC=C
InChIInChI=1S/C18H30O/c1-5-11-17(3)13-7-9-15-19-16-10-8-14-18(4)12-6-2/h5-10,17-18H,1-2,11-16H2,3-4H3
InChIKeyXDYOTCXBUGKWEJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.32
Rot. Bonds12

About 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene

4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene (PubChem CID 54464581) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene.

Molecular Properties

Compound Name4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene
PubChem CID54464581
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene
SMILESC=CCC(C)CC=CCOCC=CCC(C)CC=C
InChIInChI=1S/C18H30O/c1-5-11-17(3)13-7-9-15-19-16-10-8-14-18(4)12-6-2/h5-10,17-18H,1-2,11-16H2,3-4H3
InChIKeyXDYOTCXBUGKWEJ-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.32
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene?
The IUPAC name of 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene (CID 54464581) is 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene.
What is the SMILES notation for 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene?
The canonical SMILES for 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene is C=CCC(C)CC=CCOCC=CCC(C)CC=C.
What is the InChIKey of 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene?
The InChIKey is XDYOTCXBUGKWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-5-11-17(3)13-7-9-15-19-16-10-8-14-18(4)12-6-2/h5-10,17-18H,1-2,11-16H2,3-4H3.
What are the key properties of 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene?
4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene has a molecular weight of 262.44 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(5-methylocta-2,7-dienoxy)octa-1,6-diene is sourced from PubChem (CID 54464581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).