(2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane

C12H20O3 — CID 118373138

IUPAC(2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane
SMILESC=CCOC[C@H]1CC[C@@H](COCC=C)O1
InChIInChI=1S/C12H20O3/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+
InChIKeySEJCUEXQSKJRPA-TXEJJXNPSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds8

About (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane

(2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane (PubChem CID 118373138) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name(2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane
PubChem CID118373138
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane
SMILESC=CCOC[C@H]1CC[C@@H](COCC=C)O1
InChIInChI=1S/C12H20O3/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+
InChIKeySEJCUEXQSKJRPA-TXEJJXNPSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan
CID 237323
(3S,3aR,6R,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 11831112
Allyloxymethyltetrahydrofuran
CID 12506355
2-(4-Prop-2-enoxybutyl)oxirane
CID 20396203
(1s,2s)-1,2-Bis(prop-2-en-1-yloxy)cyclopentane
CID 134158736
(1R,5S,6R,7R)-6,7-bis(prop-2-enoxy)-3,8-dioxabicyclo[3.2.1]octane
CID 134931302
2,2-Dimethyl-4-(4-prop-2-enoxybutyl)-1,3-dioxolane
CID 11820564
Tetrahydro-5-[(2-propenyloxy)methyl]-2-furanmethanol
CID 12888746
5,6-Bis(prop-2-enoxy)hexan-1-ol
CID 17879049
1,2,6-Tris(prop-2-enoxy)hexane
CID 23117524
2-(1-Methoxyprop-2-enyl)oxolane
CID 70232597
1,2-Bis(prop-2-enoxy)hexane
CID 71465048

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane?
The IUPAC name of (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane (CID 118373138) is (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane.
What is the SMILES notation for (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane?
The canonical SMILES for (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane is C=CCOC[C@H]1CC[C@@H](COCC=C)O1.
What is the InChIKey of (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane?
The InChIKey is SEJCUEXQSKJRPA-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+.
What are the key properties of (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane?
(2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane has a molecular weight of 212.29 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-bis(prop-2-enoxymethyl)oxolane is sourced from PubChem (CID 118373138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).