1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane

C12H22O2 — CID 58247142

IUPAC1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane
SMILESC=CCOCC(=C)OCCCCCC
InChIInChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(3)11-13-9-5-2/h5H,2-4,6-11H2,1H3
InChIKeyDAEFGKGEMFRVPK-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds10

About 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane

1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane (PubChem CID 58247142) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane.

Molecular Properties

Compound Name1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane
PubChem CID58247142
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane
SMILESC=CCOCC(=C)OCCCCCC
InChIInChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(3)11-13-9-5-2/h5H,2-4,6-11H2,1H3
InChIKeyDAEFGKGEMFRVPK-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane?
The IUPAC name of 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane (CID 58247142) is 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane.
What is the SMILES notation for 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane?
The canonical SMILES for 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane is C=CCOCC(=C)OCCCCCC.
What is the InChIKey of 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane?
The InChIKey is DAEFGKGEMFRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(3)11-13-9-5-2/h5H,2-4,6-11H2,1H3.
What are the key properties of 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane?
1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane has a molecular weight of 198.31 g/mol, XLogP of 3.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enoxyprop-1-en-2-yloxy)hexane is sourced from PubChem (CID 58247142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).