(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane

C18H26O4 — CID 10990426

IUPAC(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane
SMILESC[C@H]1[C@@H](C)OC(C)(C)O[C@@H]1CC1(c2ccccc2)OCCO1
InChIInChI=1S/C18H26O4/c1-13-14(2)21-17(3,4)22-16(13)12-18(19-10-11-20-18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKeyKNPDJCVIBOGGEV-SQWLQELKSA-N
MW306.40 g/mol
LogP3.45
Rot. Bonds3

About (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane

(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane (PubChem CID 10990426) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane.

Molecular Properties

Compound Name(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane
PubChem CID10990426
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane
SMILESC[C@H]1[C@@H](C)OC(C)(C)O[C@@H]1CC1(c2ccccc2)OCCO1
InChIInChI=1S/C18H26O4/c1-13-14(2)21-17(3,4)22-16(13)12-18(19-10-11-20-18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKeyKNPDJCVIBOGGEV-SQWLQELKSA-N
XLogP3.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane?
The IUPAC name of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane (CID 10990426) is (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane.
What is the SMILES notation for (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane?
The canonical SMILES for (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane is C[C@H]1[C@@H](C)OC(C)(C)O[C@@H]1CC1(c2ccccc2)OCCO1.
What is the InChIKey of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane?
The InChIKey is KNPDJCVIBOGGEV-SQWLQELKSA-N. The full InChI is InChI=1S/C18H26O4/c1-13-14(2)21-17(3,4)22-16(13)12-18(19-10-11-20-18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14+,16+/m0/s1.
What are the key properties of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane?
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane has a molecular weight of 306.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane is sourced from PubChem (CID 10990426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).