[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

C17H30O7 — CID 14864456

IUPAC[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
SMILESCC1(C)OCC(C(O)C2OC(C)(C)OC2COC(=O)C(C)(C)C)O1
InChIInChI=1S/C17H30O7/c1-15(2,3)14(19)20-8-11-13(24-17(6,7)23-11)12(18)10-9-21-16(4,5)22-10/h10-13,18H,8-9H2,1-7H3
InChIKeyQEABTPNGCAFTCB-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.61
Rot. Bonds4

About [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate (PubChem CID 14864456) has the molecular formula C17H30O7 and a molecular weight of 346.42 g/mol. Its IUPAC name is [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
PubChem CID14864456
Molecular FormulaC17H30O7
Molecular Weight346.42 g/mol
Exact Mass346.20
IUPAC Name[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
SMILESCC1(C)OCC(C(O)C2OC(C)(C)OC2COC(=O)C(C)(C)C)O1
InChIInChI=1S/C17H30O7/c1-15(2,3)14(19)20-8-11-13(24-17(6,7)23-11)12(18)10-9-21-16(4,5)22-10/h10-13,18H,8-9H2,1-7H3
InChIKeyQEABTPNGCAFTCB-UHFFFAOYSA-N
XLogP1.61
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate (CID 14864456) is [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate is CC1(C)OCC(C(O)C2OC(C)(C)OC2COC(=O)C(C)(C)C)O1.
What is the InChIKey of [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is QEABTPNGCAFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O7/c1-15(2,3)14(19)20-8-11-13(24-17(6,7)23-11)12(18)10-9-21-16(4,5)22-10/h10-13,18H,8-9H2,1-7H3.
What are the key properties of [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 346.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 14864456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).