(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate

C25H32O5 — CID 54077360

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate
SMILESCOC(C(=O)OCC1COC(C)(C)O1)(c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C25H32O5/c1-16-10-8-11-17(2)21(16)25(27-7,22-18(3)12-9-13-19(22)4)23(26)28-14-20-15-29-24(5,6)30-20/h8-13,20H,14-15H2,1-7H3
InChIKeyMKQJHDZOHXKBEU-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.50
Rot. Bonds6

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate (PubChem CID 54077360) has the molecular formula C25H32O5 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate
PubChem CID54077360
Molecular FormulaC25H32O5
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate
SMILESCOC(C(=O)OCC1COC(C)(C)O1)(c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C25H32O5/c1-16-10-8-11-17(2)21(16)25(27-7,22-18(3)12-9-13-19(22)4)23(26)28-14-20-15-29-24(5,6)30-20/h8-13,20H,14-15H2,1-7H3
InChIKeyMKQJHDZOHXKBEU-UHFFFAOYSA-N
XLogP4.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate (CID 54077360) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate is COC(C(=O)OCC1COC(C)(C)O1)(c1c(C)cccc1C)c1c(C)cccc1C.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate?
The InChIKey is MKQJHDZOHXKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O5/c1-16-10-8-11-17(2)21(16)25(27-7,22-18(3)12-9-13-19(22)4)23(26)28-14-20-15-29-24(5,6)30-20/h8-13,20H,14-15H2,1-7H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate has a molecular weight of 412.53 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-bis(2,6-dimethylphenyl)-2-methoxyacetate is sourced from PubChem (CID 54077360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).