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

C10H18O4 — CID 14238819

IUPAC[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C10H18O4/c1-7(11)12-6-8-9(2,3)14-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1
InChIKeyJBOSCLATGFUWDA-QMMMGPOBSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds2

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

[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate (PubChem CID 14238819) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate.

Molecular Properties

Compound Name[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate
PubChem CID14238819
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C10H18O4/c1-7(11)12-6-8-9(2,3)14-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1
InChIKeyJBOSCLATGFUWDA-QMMMGPOBSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 14238831
[(4R,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11052681
(2,2-dimethyl-6-oxo-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl acetate
CID 75148574
2-[(4R)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 57485207
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
CID 12624048
[(3aR,4S,6R,6aR)-4-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 176521843
[(5R)-4,4-dimethyl-1,3-dioxan-5-yl]methyl acetate
CID 10419969
[(3aS,5S,6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 90339201
[(3aS,6R,6aS)-4-acetyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 131705481
[(5S,6S,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 58526271
[(5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 58526273
[(2R)-2-[(4R,5R)-5-[(1R)-2-acetyloxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] acetate
CID 118615098

Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate?
The IUPAC name of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate (CID 14238819) is [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate.
What is the SMILES notation for [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate?
The canonical SMILES for [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate is CC(=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 acetate?
The InChIKey is JBOSCLATGFUWDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(11)12-6-8-9(2,3)14-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of [(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate?
[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 2 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 acetate is sourced from PubChem (CID 14238819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).