(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane

C13H18O4 — CID 14265871

IUPAC(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
SMILESCOC[C@@H]1OC(c2ccccc2)O[C@H]1COC
InChIInChI=1S/C13H18O4/c1-14-8-11-12(9-15-2)17-13(16-11)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyWHYBRKAEJAASKV-RYUDHWBXSA-N
MW238.28 g/mol
LogP1.76
Rot. Bonds5

About (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane

(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane (PubChem CID 14265871) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
PubChem CID14265871
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
SMILESCOC[C@@H]1OC(c2ccccc2)O[C@H]1COC
InChIInChI=1S/C13H18O4/c1-14-8-11-12(9-15-2)17-13(16-11)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyWHYBRKAEJAASKV-RYUDHWBXSA-N
XLogP1.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane (CID 14265871) is (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane is COC[C@@H]1OC(c2ccccc2)O[C@H]1COC.
What is the InChIKey of (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane?
The InChIKey is WHYBRKAEJAASKV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18O4/c1-14-8-11-12(9-15-2)17-13(16-11)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane?
(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane has a molecular weight of 238.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 14265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).