(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol

C15H24O5 — CID 70631256

IUPAC(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol
SMILESC=CCO[C@H]1O[C@H](C)[C@@H](O)[C@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C15H24O5/c1-5-8-17-13-12(16)11(4)20-15(19-10-7-3)14(13)18-9-6-2/h5-7,11-16H,1-3,8-10H2,4H3/t11-,12-,13+,14-,15+/m1/s1
InChIKeyRMQGJRFWELGRDW-QMIVOQANSA-N
MW284.35 g/mol
LogP1.44
Rot. Bonds9

About (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol

(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol (PubChem CID 70631256) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol
PubChem CID70631256
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol
SMILESC=CCO[C@H]1O[C@H](C)[C@@H](O)[C@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C15H24O5/c1-5-8-17-13-12(16)11(4)20-15(19-10-7-3)14(13)18-9-6-2/h5-7,11-16H,1-3,8-10H2,4H3/t11-,12-,13+,14-,15+/m1/s1
InChIKeyRMQGJRFWELGRDW-QMIVOQANSA-N
XLogP1.44
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
CID 14824471
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569
(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 160723234
(2R,3R,6R)-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxane-3,4-diol
CID 170516720
(3aR,7S,7aR)-2,2,6-trimethyl-4-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 170400106
[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate
CID 46191840
3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
CID 15666729
(1S,2S,3S,4S,5R,6R)-5,6-bis(prop-2-enoxy)cyclohexane-1,2,3,4-tetrol
CID 23248808
(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-3-hydroxy-5-methyl-4-prop-2-enoxyoxan-2-yl]oxy-2,5-dimethyloxan-3-ol
CID 59046317
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R)-2-(hydroxymethyl)-4,5,6-tris(prop-2-enoxy)oxan-3-yl]oxy-4,5-bis(prop-2-enoxy)oxan-3-ol
CID 139885827
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-prop-2-enoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 101154089

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol (CID 70631256) is (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol is C=CCO[C@H]1O[C@H](C)[C@@H](O)[C@H](OCC=C)[C@H]1OCC=C.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol?
The InChIKey is RMQGJRFWELGRDW-QMIVOQANSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-8-17-13-12(16)11(4)20-15(19-10-7-3)14(13)18-9-6-2/h5-7,11-16H,1-3,8-10H2,4H3/t11-,12-,13+,14-,15+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol?
(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol has a molecular weight of 284.35 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol is sourced from PubChem (CID 70631256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).