(4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol

C12H20O5 — CID 67336755

IUPAC(4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol
SMILESC=CCOC(OCC=C)[C@@H]1C[C@@H](O)CC(O)O1
InChIInChI=1S/C12H20O5/c1-3-5-15-12(16-6-4-2)10-7-9(13)8-11(14)17-10/h3-4,9-14H,1-2,5-8H2/t9-,10+,11?/m1/s1
InChIKeyIMAAYIHRPXIRIM-JKIOLJMWSA-N
MW244.29 g/mol
LogP0.58
Rot. Bonds7

About (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol

(4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol (PubChem CID 67336755) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol.

Molecular Properties

Compound Name(4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol
PubChem CID67336755
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol
SMILESC=CCOC(OCC=C)[C@@H]1C[C@@H](O)CC(O)O1
InChIInChI=1S/C12H20O5/c1-3-5-15-12(16-6-4-2)10-7-9(13)8-11(14)17-10/h3-4,9-14H,1-2,5-8H2/t9-,10+,11?/m1/s1
InChIKeyIMAAYIHRPXIRIM-JKIOLJMWSA-N
XLogP0.58
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol?
The IUPAC name of (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol (CID 67336755) is (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol.
What is the SMILES notation for (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol?
The canonical SMILES for (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol is C=CCOC(OCC=C)[C@@H]1C[C@@H](O)CC(O)O1.
What is the InChIKey of (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol?
The InChIKey is IMAAYIHRPXIRIM-JKIOLJMWSA-N. The full InChI is InChI=1S/C12H20O5/c1-3-5-15-12(16-6-4-2)10-7-9(13)8-11(14)17-10/h3-4,9-14H,1-2,5-8H2/t9-,10+,11?/m1/s1.
What are the key properties of (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol?
(4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol has a molecular weight of 244.29 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[bis(prop-2-enoxy)methyl]oxane-2,4-diol is sourced from PubChem (CID 67336755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).