2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane

C18H34O5 — CID 58219208

IUPAC2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC1(C)OCC(COCC2COC(C)(CC(C)C)O2)O1
InChIInChI=1S/C18H34O5/c1-13(2)7-17(5)20-11-15(22-17)9-19-10-16-12-21-18(6,23-16)8-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyIZSGGISOMIWDPJ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.36
Rot. Bonds8

About 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane

2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 58219208) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID58219208
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC1(C)OCC(COCC2COC(C)(CC(C)C)O2)O1
InChIInChI=1S/C18H34O5/c1-13(2)7-17(5)20-11-15(22-17)9-19-10-16-12-21-18(6,23-16)8-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyIZSGGISOMIWDPJ-UHFFFAOYSA-N
XLogP3.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane (CID 58219208) is 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane is CC(C)CC1(C)OCC(COCC2COC(C)(CC(C)C)O2)O1.
What is the InChIKey of 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is IZSGGISOMIWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-13(2)7-17(5)20-11-15(22-17)9-19-10-16-12-21-18(6,23-16)8-14(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane?
2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 330.47 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 58219208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).