(2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane

C10H18O3 — CID 146618758

IUPAC(2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane
SMILESC=C[C@H]1OC[C@H](OCCOC)[C@@H]1C
InChIInChI=1S/C10H18O3/c1-4-9-8(2)10(7-13-9)12-6-5-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyCAFRIBXMMQKQSE-BBBLOLIVSA-N
MW186.25 g/mol
LogP1.24
Rot. Bonds5

About (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane

(2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane (PubChem CID 146618758) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane.

Molecular Properties

Compound Name(2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane
PubChem CID146618758
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane
SMILESC=C[C@H]1OC[C@H](OCCOC)[C@@H]1C
InChIInChI=1S/C10H18O3/c1-4-9-8(2)10(7-13-9)12-6-5-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyCAFRIBXMMQKQSE-BBBLOLIVSA-N
XLogP1.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane?
The IUPAC name of (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane (CID 146618758) is (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane.
What is the SMILES notation for (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane?
The canonical SMILES for (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane is C=C[C@H]1OC[C@H](OCCOC)[C@@H]1C.
What is the InChIKey of (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane?
The InChIKey is CAFRIBXMMQKQSE-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-9-8(2)10(7-13-9)12-6-5-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane?
(2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane has a molecular weight of 186.25 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-ethenyl-4-(2-methoxyethoxy)-3-methyloxolane is sourced from PubChem (CID 146618758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).