4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene

C16H26O2 — CID 23572289

IUPAC4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene
SMILESC=C=CC(CC)COCCOCC(C=C=C)CC
InChIInChI=1S/C16H26O2/c1-5-9-15(7-3)13-17-11-12-18-14-16(8-4)10-6-2/h9-10,15-16H,1-2,7-8,11-14H2,3-4H3
InChIKeyHZUVICLMEPUJSM-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.75
Rot. Bonds11

About 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene

4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene (PubChem CID 23572289) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene.

Molecular Properties

Compound Name4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene
PubChem CID23572289
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene
SMILESC=C=CC(CC)COCCOCC(C=C=C)CC
InChIInChI=1S/C16H26O2/c1-5-9-15(7-3)13-17-11-12-18-14-16(8-4)10-6-2/h9-10,15-16H,1-2,7-8,11-14H2,3-4H3
InChIKeyHZUVICLMEPUJSM-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene?
The IUPAC name of 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene (CID 23572289) is 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene.
What is the SMILES notation for 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene?
The canonical SMILES for 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene is C=C=CC(CC)COCCOCC(C=C=C)CC.
What is the InChIKey of 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene?
The InChIKey is HZUVICLMEPUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-9-15(7-3)13-17-11-12-18-14-16(8-4)10-6-2/h9-10,15-16H,1-2,7-8,11-14H2,3-4H3.
What are the key properties of 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene?
4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene has a molecular weight of 250.38 g/mol, XLogP of 3.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpenta-3,4-dienoxy)ethoxymethyl]hexa-1,2-diene is sourced from PubChem (CID 23572289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).