1,2-bis(prop-2-enoxy)hexane

C12H22O2 — CID 71465048

IUPAC1,2-bis(prop-2-enoxy)hexane
SMILESC=CCOCC(CCCC)OCC=C
InChIInChI=1S/C12H22O2/c1-4-7-8-12(14-10-6-3)11-13-9-5-2/h5-6,12H,2-4,7-11H2,1H3
InChIKeyWJACQYHOEXFLGT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds10

About 1,2-bis(prop-2-enoxy)hexane

1,2-bis(prop-2-enoxy)hexane (PubChem CID 71465048) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,2-bis(prop-2-enoxy)hexane.

Molecular Properties

Compound Name1,2-bis(prop-2-enoxy)hexane
PubChem CID71465048
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,2-bis(prop-2-enoxy)hexane
SMILESC=CCOCC(CCCC)OCC=C
InChIInChI=1S/C12H22O2/c1-4-7-8-12(14-10-6-3)11-13-9-5-2/h5-6,12H,2-4,7-11H2,1H3
InChIKeyWJACQYHOEXFLGT-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,2-bis(prop-2-enoxy)hexane?
The IUPAC name of 1,2-bis(prop-2-enoxy)hexane (CID 71465048) is 1,2-bis(prop-2-enoxy)hexane.
What is the SMILES notation for 1,2-bis(prop-2-enoxy)hexane?
The canonical SMILES for 1,2-bis(prop-2-enoxy)hexane is C=CCOCC(CCCC)OCC=C.
What is the InChIKey of 1,2-bis(prop-2-enoxy)hexane?
The InChIKey is WJACQYHOEXFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-8-12(14-10-6-3)11-13-9-5-2/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 1,2-bis(prop-2-enoxy)hexane?
1,2-bis(prop-2-enoxy)hexane has a molecular weight of 198.31 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enoxy)hexane is sourced from PubChem (CID 71465048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).