(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane

C18H20O4 — CID 57225291

IUPAC(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C18H20O4/c1-18(2)20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyBYQKIJHETWJYME-KRWDZBQOSA-N
MW300.35 g/mol
LogP4.01
Rot. Bonds5

About (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (PubChem CID 57225291) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
PubChem CID57225291
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C18H20O4/c1-18(2)20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyBYQKIJHETWJYME-KRWDZBQOSA-N
XLogP4.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (CID 57225291) is (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is CC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The InChIKey is BYQKIJHETWJYME-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20O4/c1-18(2)20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane has a molecular weight of 300.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 57225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).