4,5-bis(ethenyl)-2-pentyl-1,3-dioxane

C13H22O2 — CID 174949620

IUPAC4,5-bis(ethenyl)-2-pentyl-1,3-dioxane
SMILESC=CC1COC(CCCCC)OC1C=C
InChIInChI=1S/C13H22O2/c1-4-7-8-9-13-14-10-11(5-2)12(6-3)15-13/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyBLCUEWVZUPYKFG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.30
Rot. Bonds6

About 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane

4,5-bis(ethenyl)-2-pentyl-1,3-dioxane (PubChem CID 174949620) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-pentyl-1,3-dioxane
PubChem CID174949620
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4,5-bis(ethenyl)-2-pentyl-1,3-dioxane
SMILESC=CC1COC(CCCCC)OC1C=C
InChIInChI=1S/C13H22O2/c1-4-7-8-9-13-14-10-11(5-2)12(6-3)15-13/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyBLCUEWVZUPYKFG-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.30
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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Related Compounds

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CID 10824861
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CID 134882515
CID 134882515
CID 236452
CID 236452
CID 23286497
CID 23286497
CID 58241359
CID 58241359
CID 58241381
CID 58241381
CID 58795448
CID 58795448
CID 58822545
CID 58822545
CID 59912694
CID 59912694

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
The IUPAC name of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane (CID 174949620) is 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
The canonical SMILES for 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane is C=CC1COC(CCCCC)OC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
The InChIKey is BLCUEWVZUPYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-7-8-9-13-14-10-11(5-2)12(6-3)15-13/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
4,5-bis(ethenyl)-2-pentyl-1,3-dioxane has a molecular weight of 210.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane is sourced from PubChem (CID 174949620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).