(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate

C18H30O10 — CID 163831813

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
SMILESCC1(C)OCC(COC(=O)COCCOCC(=O)OCC2COC(C)(C)O2)O1
InChIInChI=1S/C18H30O10/c1-17(2)25-9-13(27-17)7-23-15(19)11-21-5-6-22-12-16(20)24-8-14-10-26-18(3,4)28-14/h13-14H,5-12H2,1-4H3
InChIKeyMCSRZAMLEIMSBU-UHFFFAOYSA-N
MW406.43 g/mol
LogP0.41
Rot. Bonds11

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate (PubChem CID 163831813) has the molecular formula C18H30O10 and a molecular weight of 406.43 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
PubChem CID163831813
Molecular FormulaC18H30O10
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
SMILESCC1(C)OCC(COC(=O)COCCOCC(=O)OCC2COC(C)(C)O2)O1
InChIInChI=1S/C18H30O10/c1-17(2)25-9-13(27-17)7-23-15(19)11-21-5-6-22-12-16(20)24-8-14-10-26-18(3,4)28-14/h13-14H,5-12H2,1-4H3
InChIKeyMCSRZAMLEIMSBU-UHFFFAOYSA-N
XLogP0.41
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate (CID 163831813) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate is CC1(C)OCC(COC(=O)COCCOCC(=O)OCC2COC(C)(C)O2)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate?
The InChIKey is MCSRZAMLEIMSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O10/c1-17(2)25-9-13(27-17)7-23-15(19)11-21-5-6-22-12-16(20)24-8-14-10-26-18(3,4)28-14/h13-14H,5-12H2,1-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate has a molecular weight of 406.43 g/mol, XLogP of 0.41, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate is sourced from PubChem (CID 163831813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).