(2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane

C15H28O5 — CID 44631285

IUPAC(2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane
SMILESC=CCOC[C@H]1O[C@@H](OC)[C@H](OC(C)C)[C@@H]1OC(C)C
InChIInChI=1S/C15H28O5/c1-7-8-17-9-12-13(18-10(2)3)14(19-11(4)5)15(16-6)20-12/h7,10-15H,1,8-9H2,2-6H3/t12-,13-,14-,15-/m1/s1
InChIKeyXINRIOXFYHKIOX-KBUPBQIOSA-N
MW288.38 g/mol
LogP2.15
Rot. Bonds9

About (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane

(2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane (PubChem CID 44631285) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane
PubChem CID44631285
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane
SMILESC=CCOC[C@H]1O[C@@H](OC)[C@H](OC(C)C)[C@@H]1OC(C)C
InChIInChI=1S/C15H28O5/c1-7-8-17-9-12-13(18-10(2)3)14(19-11(4)5)15(16-6)20-12/h7,10-15H,1,8-9H2,2-6H3/t12-,13-,14-,15-/m1/s1
InChIKeyXINRIOXFYHKIOX-KBUPBQIOSA-N
XLogP2.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane?
The IUPAC name of (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane (CID 44631285) is (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane.
What is the SMILES notation for (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane?
The canonical SMILES for (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane is C=CCOC[C@H]1O[C@@H](OC)[C@H](OC(C)C)[C@@H]1OC(C)C.
What is the InChIKey of (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane?
The InChIKey is XINRIOXFYHKIOX-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H28O5/c1-7-8-17-9-12-13(18-10(2)3)14(19-11(4)5)15(16-6)20-12/h7,10-15H,1,8-9H2,2-6H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane?
(2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane has a molecular weight of 288.38 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-methoxy-3,4-di(propan-2-yloxy)-5-(prop-2-enoxymethyl)oxolane is sourced from PubChem (CID 44631285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).