[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol

C18H30O6 — CID 146018812

IUPAC[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol
SMILESC=CCO[C@H]1[C@H](OCC=C)[C@@H](OCC=C)C(OC(C)C)O[C@@H]1CO
InChIInChI=1S/C18H30O6/c1-6-9-20-15-14(12-19)24-18(23-13(4)5)17(22-11-8-3)16(15)21-10-7-2/h6-8,13-19H,1-3,9-12H2,4-5H3/t14-,15-,16+,17-,18?/m1/s1
InChIKeyNFBJLUNABYHVLE-IHAUNJBESA-N
MW342.43 g/mol
LogP1.84
Rot. Bonds12

About [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol

[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol (PubChem CID 146018812) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol
PubChem CID146018812
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol
SMILESC=CCO[C@H]1[C@H](OCC=C)[C@@H](OCC=C)C(OC(C)C)O[C@@H]1CO
InChIInChI=1S/C18H30O6/c1-6-9-20-15-14(12-19)24-18(23-13(4)5)17(22-11-8-3)16(15)21-10-7-2/h6-8,13-19H,1-3,9-12H2,4-5H3/t14-,15-,16+,17-,18?/m1/s1
InChIKeyNFBJLUNABYHVLE-IHAUNJBESA-N
XLogP1.84
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol (CID 146018812) is [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol is C=CCO[C@H]1[C@H](OCC=C)[C@@H](OCC=C)C(OC(C)C)O[C@@H]1CO.
What is the InChIKey of [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol?
The InChIKey is NFBJLUNABYHVLE-IHAUNJBESA-N. The full InChI is InChI=1S/C18H30O6/c1-6-9-20-15-14(12-19)24-18(23-13(4)5)17(22-11-8-3)16(15)21-10-7-2/h6-8,13-19H,1-3,9-12H2,4-5H3/t14-,15-,16+,17-,18?/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol?
[(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol has a molecular weight of 342.43 g/mol, XLogP of 1.84, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-6-propan-2-yloxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methanol is sourced from PubChem (CID 146018812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).