4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane

C12H16O4 — CID 176657858

IUPAC4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESC#CCOC1CC(OCC=C)C2OCC1O2
InChIInChI=1S/C12H16O4/c1-3-5-13-9-7-10(14-6-4-2)12-15-8-11(9)16-12/h1,4,9-12H,2,5-8H2
InChIKeyDWSARMFRHICVDR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.72
Rot. Bonds5

About 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane

4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 176657858) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID176657858
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESC#CCOC1CC(OCC=C)C2OCC1O2
InChIInChI=1S/C12H16O4/c1-3-5-13-9-7-10(14-6-4-2)12-15-8-11(9)16-12/h1,4,9-12H,2,5-8H2
InChIKeyDWSARMFRHICVDR-UHFFFAOYSA-N
XLogP0.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane
CID 176657862
2,4-bis(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 176657865
(3S,3aR,6S,6aR)-3,6-bis(prop-2-ynoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118862590
(1S,3S,4R,5R)-3-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 40522782
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(1R,2S,4R)-2-hexoxy-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384631
(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384369
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
(3S,3aR,6S,6aR)-6-prop-2-ynoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118862580
(1S,4S,5S)-5-prop-2-ynoxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 25232484
(3R,3aR,6R,6aR)-6-prop-2-ynoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118862581
(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6S,7S,8S,8aR)-2-phenyl-8-phenylmethoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-phenyl-8-phenylmethoxy-7-prop-2-ynoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 25232318

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane (CID 176657858) is 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane is C#CCOC1CC(OCC=C)C2OCC1O2.
What is the InChIKey of 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is DWSARMFRHICVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-5-13-9-7-10(14-6-4-2)12-15-8-11(9)16-12/h1,4,9-12H,2,5-8H2.
What are the key properties of 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane?
4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 224.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 176657858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).