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

C9H14O3 — CID 176657862

IUPAC4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESC=CCOC1CCC2COC1O2
InChIInChI=1S/C9H14O3/c1-2-5-10-8-4-3-7-6-11-9(8)12-7/h2,7-9H,1,3-6H2
InChIKeyOAHKMQSKCHTYJA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.09
Rot. Bonds3

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

4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 176657862) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID176657862
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESC=CCOC1CCC2COC1O2
InChIInChI=1S/C9H14O3/c1-2-5-10-8-4-3-7-6-11-9(8)12-7/h2,7-9H,1,3-6H2
InChIKeyOAHKMQSKCHTYJA-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(1S,2S,5S,7S)-7-(iodomethyl)-2-prop-2-enoxy-8-oxabicyclo[3.2.1]octane
CID 101100610
4-prop-2-enoxy-2-prop-2-ynoxy-6,8-dioxabicyclo[3.2.1]octane
CID 176657858
2,4-bis(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 176657865
(1S,4S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 26342888
(3S,3aR,6S,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 14307950
(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 72700333
5-ethenyl-2-prop-2-enoxycyclohexan-1-ol
CID 118659582
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 11205806
6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
CID 15237962
1-[(4aS,7S,7aS)-7-prop-2-enoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopentylethanone
CID 97365183

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane (CID 176657862) is 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane is C=CCOC1CCC2COC1O2.
What is the InChIKey of 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is OAHKMQSKCHTYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-5-10-8-4-3-7-6-11-9(8)12-7/h2,7-9H,1,3-6H2.
What are the key properties of 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane?
4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 170.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 176657862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).