2-ethoxy-3-ethyl-4-methylpenta-1,4-diene

C10H18O — CID 89318231

IUPAC2-ethoxy-3-ethyl-4-methylpenta-1,4-diene
SMILESC=C(C)C(CC)C(=C)OCC
InChIInChI=1S/C10H18O/c1-6-10(8(3)4)9(5)11-7-2/h10H,3,5-7H2,1-2,4H3
InChIKeyQAXBVRMIZXKOSR-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.14
Rot. Bonds5

About 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene

2-ethoxy-3-ethyl-4-methylpenta-1,4-diene (PubChem CID 89318231) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-4-methylpenta-1,4-diene
PubChem CID89318231
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethoxy-3-ethyl-4-methylpenta-1,4-diene
SMILESC=C(C)C(CC)C(=C)OCC
InChIInChI=1S/C10H18O/c1-6-10(8(3)4)9(5)11-7-2/h10H,3,5-7H2,1-2,4H3
InChIKeyQAXBVRMIZXKOSR-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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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Related Compounds

2-Ethoxy-4-methylpenta-1,4-diene
CID 12625765
Ethyl 1-isopentylvinyl ether
CID 89670721
3-Ethyl-2-methoxypent-1-ene
CID 123530231
4-Methoxy-2,3-dimethylhex-1-ene
CID 100946452
4-Methoxy-2,3-dimethylpent-1-ene
CID 13025009
2-Methyl-4-(4-methylpent-4-en-2-yloxy)pent-1-ene
CID 20033936
2-Ethoxy-4-methylpent-1-ene
CID 20704869
3-(Prop-1-en-2-yloxymethyl)pentane
CID 57969462
2-Methyl-1-(3-methylbut-1-en-2-yloxy)butane
CID 57998900
2-(2-Methylpropoxy)pent-1-ene
CID 59125329
4-Methyl-2-(4-methylhex-1-en-2-yloxy)hex-1-ene
CID 88290643
3-(4-Methylpenta-1,4-dien-2-yloxymethyl)heptane
CID 88563765

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene?
The IUPAC name of 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene (CID 89318231) is 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene.
What is the SMILES notation for 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene?
The canonical SMILES for 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene is C=C(C)C(CC)C(=C)OCC.
What is the InChIKey of 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene?
The InChIKey is QAXBVRMIZXKOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-10(8(3)4)9(5)11-7-2/h10H,3,5-7H2,1-2,4H3.
What are the key properties of 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene?
2-ethoxy-3-ethyl-4-methylpenta-1,4-diene has a molecular weight of 154.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-4-methylpenta-1,4-diene is sourced from PubChem (CID 89318231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).