(3E,5E)-5-methoxy-3-methylocta-3,5-diene

C10H18O — CID 143342080

IUPAC(3E,5E)-5-methoxy-3-methylocta-3,5-diene
SMILESCC/C=C(\C=C(/C)CC)OC
InChIInChI=1S/C10H18O/c1-5-7-10(11-4)8-9(3)6-2/h7-8H,5-6H2,1-4H3/b9-8+,10-7+
InChIKeyJKECKKRMRUOASU-DGLUDJRXSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds4

About (3E,5E)-5-methoxy-3-methylocta-3,5-diene

(3E,5E)-5-methoxy-3-methylocta-3,5-diene (PubChem CID 143342080) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3E,5E)-5-methoxy-3-methylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-5-methoxy-3-methylocta-3,5-diene
PubChem CID143342080
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3E,5E)-5-methoxy-3-methylocta-3,5-diene
SMILESCC/C=C(\C=C(/C)CC)OC
InChIInChI=1S/C10H18O/c1-5-7-10(11-4)8-9(3)6-2/h7-8H,5-6H2,1-4H3/b9-8+,10-7+
InChIKeyJKECKKRMRUOASU-DGLUDJRXSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-methoxy-3-methylocta-3,5-diene?
The IUPAC name of (3E,5E)-5-methoxy-3-methylocta-3,5-diene (CID 143342080) is (3E,5E)-5-methoxy-3-methylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-5-methoxy-3-methylocta-3,5-diene?
The canonical SMILES for (3E,5E)-5-methoxy-3-methylocta-3,5-diene is CC/C=C(\C=C(/C)CC)OC.
What is the InChIKey of (3E,5E)-5-methoxy-3-methylocta-3,5-diene?
The InChIKey is JKECKKRMRUOASU-DGLUDJRXSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-10(11-4)8-9(3)6-2/h7-8H,5-6H2,1-4H3/b9-8+,10-7+.
What are the key properties of (3E,5E)-5-methoxy-3-methylocta-3,5-diene?
(3E,5E)-5-methoxy-3-methylocta-3,5-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-methoxy-3-methylocta-3,5-diene is sourced from PubChem (CID 143342080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).