4-methoxy-2-methylocta-1,3-diene

C10H18O — CID 155908408

IUPAC4-methoxy-2-methylocta-1,3-diene
SMILESC=C(C)C=C(CCCC)OC
InChIInChI=1S/C10H18O/c1-5-6-7-10(11-4)8-9(2)3/h8H,2,5-7H2,1,3-4H3
InChIKeyLRUTXLRHMKGBCN-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds5

About 4-methoxy-2-methylocta-1,3-diene

4-methoxy-2-methylocta-1,3-diene (PubChem CID 155908408) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methoxy-2-methylocta-1,3-diene.

Molecular Properties

Compound Name4-methoxy-2-methylocta-1,3-diene
PubChem CID155908408
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methoxy-2-methylocta-1,3-diene
SMILESC=C(C)C=C(CCCC)OC
InChIInChI=1S/C10H18O/c1-5-6-7-10(11-4)8-9(2)3/h8H,2,5-7H2,1,3-4H3
InChIKeyLRUTXLRHMKGBCN-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 4-methoxy-2-methylocta-1,3-diene?
The IUPAC name of 4-methoxy-2-methylocta-1,3-diene (CID 155908408) is 4-methoxy-2-methylocta-1,3-diene.
What is the SMILES notation for 4-methoxy-2-methylocta-1,3-diene?
The canonical SMILES for 4-methoxy-2-methylocta-1,3-diene is C=C(C)C=C(CCCC)OC.
What is the InChIKey of 4-methoxy-2-methylocta-1,3-diene?
The InChIKey is LRUTXLRHMKGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-7-10(11-4)8-9(2)3/h8H,2,5-7H2,1,3-4H3.
What are the key properties of 4-methoxy-2-methylocta-1,3-diene?
4-methoxy-2-methylocta-1,3-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylocta-1,3-diene is sourced from PubChem (CID 155908408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).