1-ethoxy-2,5-dimethylhexa-1,4-diene

C10H18O — CID 163671736

IUPAC1-ethoxy-2,5-dimethylhexa-1,4-diene
SMILESCCOC=C(C)CC=C(C)C
InChIInChI=1S/C10H18O/c1-5-11-8-10(4)7-6-9(2)3/h6,8H,5,7H2,1-4H3
InChIKeyJDDMDEVYKYZKSM-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds4

About 1-ethoxy-2,5-dimethylhexa-1,4-diene

1-ethoxy-2,5-dimethylhexa-1,4-diene (PubChem CID 163671736) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethoxy-2,5-dimethylhexa-1,4-diene.

Molecular Properties

Compound Name1-ethoxy-2,5-dimethylhexa-1,4-diene
PubChem CID163671736
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethoxy-2,5-dimethylhexa-1,4-diene
SMILESCCOC=C(C)CC=C(C)C
InChIInChI=1S/C10H18O/c1-5-11-8-10(4)7-6-9(2)3/h6,8H,5,7H2,1-4H3
InChIKeyJDDMDEVYKYZKSM-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,5-dimethylhexa-1,4-diene?
The IUPAC name of 1-ethoxy-2,5-dimethylhexa-1,4-diene (CID 163671736) is 1-ethoxy-2,5-dimethylhexa-1,4-diene.
What is the SMILES notation for 1-ethoxy-2,5-dimethylhexa-1,4-diene?
The canonical SMILES for 1-ethoxy-2,5-dimethylhexa-1,4-diene is CCOC=C(C)CC=C(C)C.
What is the InChIKey of 1-ethoxy-2,5-dimethylhexa-1,4-diene?
The InChIKey is JDDMDEVYKYZKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-11-8-10(4)7-6-9(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-ethoxy-2,5-dimethylhexa-1,4-diene?
1-ethoxy-2,5-dimethylhexa-1,4-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 1-ethoxy-2,5-dimethylhexa-1,4-diene is sourced from PubChem (CID 163671736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).