2-hexa-4,5-dienoxyoxane

C11H18O2 — CID 10997681

IUPAC2-hexa-4,5-dienoxyoxane
SMILESC=C=CCCCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3,11H,1,4-10H2
InChIKeyDQQDKWDEXUXPFO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.65
Rot. Bonds5

About 2-hexa-4,5-dienoxyoxane

2-hexa-4,5-dienoxyoxane (PubChem CID 10997681) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-hexa-4,5-dienoxyoxane.

Molecular Properties

Compound Name2-hexa-4,5-dienoxyoxane
PubChem CID10997681
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-hexa-4,5-dienoxyoxane
SMILESC=C=CCCCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3,11H,1,4-10H2
InChIKeyDQQDKWDEXUXPFO-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.65
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 2-hexa-4,5-dienoxyoxane?
The IUPAC name of 2-hexa-4,5-dienoxyoxane (CID 10997681) is 2-hexa-4,5-dienoxyoxane.
What is the SMILES notation for 2-hexa-4,5-dienoxyoxane?
The canonical SMILES for 2-hexa-4,5-dienoxyoxane is C=C=CCCCOC1CCCCO1.
What is the InChIKey of 2-hexa-4,5-dienoxyoxane?
The InChIKey is DQQDKWDEXUXPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3,11H,1,4-10H2.
What are the key properties of 2-hexa-4,5-dienoxyoxane?
2-hexa-4,5-dienoxyoxane has a molecular weight of 182.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-4,5-dienoxyoxane is sourced from PubChem (CID 10997681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).