[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate

C11H20O4 — CID 14238823

IUPAC[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate
SMILESCCC(=O)OC[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O4/c1-6-9(12)13-7-8-10(2,3)15-11(4,5)14-8/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDFCCJMFDUYFPAE-QMMMGPOBSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds3

About [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate

[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate (PubChem CID 14238823) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate.

Molecular Properties

Compound Name[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate
PubChem CID14238823
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate
SMILESCCC(=O)OC[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O4/c1-6-9(12)13-7-8-10(2,3)15-11(4,5)14-8/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDFCCJMFDUYFPAE-QMMMGPOBSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate?
The IUPAC name of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate (CID 14238823) is [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate.
What is the SMILES notation for [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate?
The canonical SMILES for [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate is CCC(=O)OC[C@@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate?
The InChIKey is DFCCJMFDUYFPAE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-9(12)13-7-8-10(2,3)15-11(4,5)14-8/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate?
[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl propanoate is sourced from PubChem (CID 14238823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).