3-methoxy-2-methylnona-2,4-diene

C11H20O — CID 87220842

IUPAC3-methoxy-2-methylnona-2,4-diene
SMILESCCCCC=CC(OC)=C(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-8-9-11(12-4)10(2)3/h8-9H,5-7H2,1-4H3
InChIKeyCIMWSDDVGNUAQB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds5

About 3-methoxy-2-methylnona-2,4-diene

3-methoxy-2-methylnona-2,4-diene (PubChem CID 87220842) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methoxy-2-methylnona-2,4-diene.

Molecular Properties

Compound Name3-methoxy-2-methylnona-2,4-diene
PubChem CID87220842
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methoxy-2-methylnona-2,4-diene
SMILESCCCCC=CC(OC)=C(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-8-9-11(12-4)10(2)3/h8-9H,5-7H2,1-4H3
InChIKeyCIMWSDDVGNUAQB-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylnona-2,4-diene?
The IUPAC name of 3-methoxy-2-methylnona-2,4-diene (CID 87220842) is 3-methoxy-2-methylnona-2,4-diene.
What is the SMILES notation for 3-methoxy-2-methylnona-2,4-diene?
The canonical SMILES for 3-methoxy-2-methylnona-2,4-diene is CCCCC=CC(OC)=C(C)C.
What is the InChIKey of 3-methoxy-2-methylnona-2,4-diene?
The InChIKey is CIMWSDDVGNUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-7-8-9-11(12-4)10(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-2-methylnona-2,4-diene?
3-methoxy-2-methylnona-2,4-diene has a molecular weight of 168.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylnona-2,4-diene is sourced from PubChem (CID 87220842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).