[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate

C9H16O4 — CID 11106100

IUPAC[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
SMILESCC(=O)OC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C9H16O4/c1-7(10)11-5-9(4)6-12-8(2,3)13-9/h5-6H2,1-4H3/t9-/m0/s1
InChIKeyFSLQPSFXORKNHQ-VIFPVBQESA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds2

About [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate

[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate (PubChem CID 11106100) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate.

Molecular Properties

Compound Name[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
PubChem CID11106100
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
SMILESCC(=O)OC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C9H16O4/c1-7(10)11-5-9(4)6-12-8(2,3)13-9/h5-6H2,1-4H3/t9-/m0/s1
InChIKeyFSLQPSFXORKNHQ-VIFPVBQESA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate?
The IUPAC name of [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate (CID 11106100) is [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate.
What is the SMILES notation for [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate?
The canonical SMILES for [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate is CC(=O)OC[C@@]1(C)COC(C)(C)O1.
What is the InChIKey of [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate?
The InChIKey is FSLQPSFXORKNHQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O4/c1-7(10)11-5-9(4)6-12-8(2,3)13-9/h5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate?
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate has a molecular weight of 188.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate is sourced from PubChem (CID 11106100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).