[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol

C15H28O4 — CID 56946557

IUPAC[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
SMILESC[C@@H]1COC(C)(C)O[C@H]1[C@H](C)C[C@@H](C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C15H28O4/c1-9(6-10(2)14-12(7-16)18-14)13-11(3)8-17-15(4,5)19-13/h9-14,16H,6-8H2,1-5H3/t9-,10-,11-,12-,13+,14-/m1/s1
InChIKeyULAHEUTYMAHKNA-UCKQBZRPSA-N
MW272.38 g/mol
LogP2.20
Rot. Bonds5

About [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol

[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol (PubChem CID 56946557) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
PubChem CID56946557
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
SMILESC[C@@H]1COC(C)(C)O[C@H]1[C@H](C)C[C@@H](C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C15H28O4/c1-9(6-10(2)14-12(7-16)18-14)13-11(3)8-17-15(4,5)19-13/h9-14,16H,6-8H2,1-5H3/t9-,10-,11-,12-,13+,14-/m1/s1
InChIKeyULAHEUTYMAHKNA-UCKQBZRPSA-N
XLogP2.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol (CID 56946557) is [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol is C[C@@H]1COC(C)(C)O[C@H]1[C@H](C)C[C@@H](C)[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol?
The InChIKey is ULAHEUTYMAHKNA-UCKQBZRPSA-N. The full InChI is InChI=1S/C15H28O4/c1-9(6-10(2)14-12(7-16)18-14)13-11(3)8-17-15(4,5)19-13/h9-14,16H,6-8H2,1-5H3/t9-,10-,11-,12-,13+,14-/m1/s1.
What are the key properties of [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol?
[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol has a molecular weight of 272.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 56946557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).