4-ethoxy-6-methylhepta-1,2-diene

C10H18O — CID 13406601

IUPAC4-ethoxy-6-methylhepta-1,2-diene
SMILESC=C=CC(CC(C)C)OCC
InChIInChI=1S/C10H18O/c1-5-7-10(11-6-2)8-9(3)4/h7,9-10H,1,6,8H2,2-4H3
InChIKeyHTBNWBRVJGXVRJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.78
Rot. Bonds5

About 4-ethoxy-6-methylhepta-1,2-diene

4-ethoxy-6-methylhepta-1,2-diene (PubChem CID 13406601) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-ethoxy-6-methylhepta-1,2-diene.

Molecular Properties

Compound Name4-ethoxy-6-methylhepta-1,2-diene
PubChem CID13406601
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-ethoxy-6-methylhepta-1,2-diene
SMILESC=C=CC(CC(C)C)OCC
InChIInChI=1S/C10H18O/c1-5-7-10(11-6-2)8-9(3)4/h7,9-10H,1,6,8H2,2-4H3
InChIKeyHTBNWBRVJGXVRJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methylhepta-1,2-diene?
The IUPAC name of 4-ethoxy-6-methylhepta-1,2-diene (CID 13406601) is 4-ethoxy-6-methylhepta-1,2-diene.
What is the SMILES notation for 4-ethoxy-6-methylhepta-1,2-diene?
The canonical SMILES for 4-ethoxy-6-methylhepta-1,2-diene is C=C=CC(CC(C)C)OCC.
What is the InChIKey of 4-ethoxy-6-methylhepta-1,2-diene?
The InChIKey is HTBNWBRVJGXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-10(11-6-2)8-9(3)4/h7,9-10H,1,6,8H2,2-4H3.
What are the key properties of 4-ethoxy-6-methylhepta-1,2-diene?
4-ethoxy-6-methylhepta-1,2-diene has a molecular weight of 154.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methylhepta-1,2-diene is sourced from PubChem (CID 13406601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).