3-ethenoxy-5-methylhexa-1,2-diene

C9H14O — CID 15102915

IUPAC3-ethenoxy-5-methylhexa-1,2-diene
SMILESC=C=C(CC(C)C)OC=C
InChIInChI=1S/C9H14O/c1-5-9(10-6-2)7-8(3)4/h6,8H,1-2,7H2,3-4H3
InChIKeyNXUDZMLTUDGOBM-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.86
Rot. Bonds4

About 3-ethenoxy-5-methylhexa-1,2-diene

3-ethenoxy-5-methylhexa-1,2-diene (PubChem CID 15102915) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethenoxy-5-methylhexa-1,2-diene.

Molecular Properties

Compound Name3-ethenoxy-5-methylhexa-1,2-diene
PubChem CID15102915
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-ethenoxy-5-methylhexa-1,2-diene
SMILESC=C=C(CC(C)C)OC=C
InChIInChI=1S/C9H14O/c1-5-9(10-6-2)7-8(3)4/h6,8H,1-2,7H2,3-4H3
InChIKeyNXUDZMLTUDGOBM-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-5-methylhexa-1,2-diene?
The IUPAC name of 3-ethenoxy-5-methylhexa-1,2-diene (CID 15102915) is 3-ethenoxy-5-methylhexa-1,2-diene.
What is the SMILES notation for 3-ethenoxy-5-methylhexa-1,2-diene?
The canonical SMILES for 3-ethenoxy-5-methylhexa-1,2-diene is C=C=C(CC(C)C)OC=C.
What is the InChIKey of 3-ethenoxy-5-methylhexa-1,2-diene?
The InChIKey is NXUDZMLTUDGOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-5-9(10-6-2)7-8(3)4/h6,8H,1-2,7H2,3-4H3.
What are the key properties of 3-ethenoxy-5-methylhexa-1,2-diene?
3-ethenoxy-5-methylhexa-1,2-diene has a molecular weight of 138.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-5-methylhexa-1,2-diene is sourced from PubChem (CID 15102915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).