(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran

C15H22O4 — CID 56590493

IUPAC(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran
SMILESC=CCOC[C@H]1OC=C[C@@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C15H22O4/c1-4-8-16-12-14-15(19-10-6-3)13(7-11-18-14)17-9-5-2/h4-7,11,13-15H,1-3,8-10,12H2/t13-,14-,15-/m1/s1
InChIKeyGMXNBEFAYKHZCQ-RBSFLKMASA-N
MW266.34 g/mol
LogP2.24
Rot. Bonds10

About (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran

(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 56590493) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran
PubChem CID56590493
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran
SMILESC=CCOC[C@H]1OC=C[C@@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C15H22O4/c1-4-8-16-12-14-15(19-10-6-3)13(7-11-18-14)17-9-5-2/h4-7,11,13-15H,1-3,8-10,12H2/t13-,14-,15-/m1/s1
InChIKeyGMXNBEFAYKHZCQ-RBSFLKMASA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran (CID 56590493) is (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran is C=CCOC[C@H]1OC=C[C@@H](OCC=C)[C@H]1OCC=C.
What is the InChIKey of (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is GMXNBEFAYKHZCQ-RBSFLKMASA-N. The full InChI is InChI=1S/C15H22O4/c1-4-8-16-12-14-15(19-10-6-3)13(7-11-18-14)17-9-5-2/h4-7,11,13-15H,1-3,8-10,12H2/t13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran?
(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 266.34 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 56590493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).