(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene

C11H16O3 — CID 42604313

IUPAC(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene
SMILESC=CC(OC)O[C@H]1CC[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C11H16O3/c1-3-11(12-2)14-10-7-5-8-4-6-9(10)13-8/h3-4,6,8-11H,1,5,7H2,2H3/t8-,9+,10-,11?/m0/s1
InChIKeyAHQOUJSPMXRUFR-JDUUOCRZSA-N
MW196.25 g/mol
LogP1.65
Rot. Bonds4

About (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene

(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 42604313) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene
PubChem CID42604313
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene
SMILESC=CC(OC)O[C@H]1CC[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C11H16O3/c1-3-11(12-2)14-10-7-5-8-4-6-9(10)13-8/h3-4,6,8-11H,1,5,7H2,2H3/t8-,9+,10-,11?/m0/s1
InChIKeyAHQOUJSPMXRUFR-JDUUOCRZSA-N
XLogP1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
CID 12462321
(3E)-5-ethoxy-2-ethyl-3-heptylideneoxolane
CID 13973915
2-[(E)-4-(1,3-dioxolan-2-yl)but-1-enyl]oxane
CID 102392639
(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950459
(2S,3S,6R)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950460
(2S,3S,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950481
(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
CID 134950601
(2S,3R,6R)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950602
(2R,7S)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
CID 134966614
(2R,4aR,6R,7Z,10aS)-6-ethyl-2-methyl-4,4a,6,9,10,10a-hexahydro-[1,3]dioxino[5,4-b]oxocine
CID 134996028
(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane
CID 135038110
6-Butyl-2-methoxy-2-methyl-1,7,10-trioxaspiro[4.5]dec-3-ene
CID 162407453

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene (CID 42604313) is (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene is C=CC(OC)O[C@H]1CC[C@@H]2C=C[C@H]1O2.
What is the InChIKey of (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is AHQOUJSPMXRUFR-JDUUOCRZSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-11(12-2)14-10-7-5-8-4-6-9(10)13-8/h3-4,6,8-11H,1,5,7H2,2H3/t8-,9+,10-,11?/m0/s1.
What are the key properties of (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene?
(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 196.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 42604313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).