[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate

C10H18O4 — CID 11095677

IUPAC[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate
SMILESCCCC(=O)OC[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyJMMOQNCIYAMRDB-QMMMGPOBSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds4

About [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate

[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate (PubChem CID 11095677) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate.

Molecular Properties

Compound Name[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate
PubChem CID11095677
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate
SMILESCCCC(=O)OC[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyJMMOQNCIYAMRDB-QMMMGPOBSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate?
The IUPAC name of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate (CID 11095677) is [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate.
What is the SMILES notation for [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate?
The canonical SMILES for [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate is CCCC(=O)OC[C@H]1COC(C)(C)O1.
What is the InChIKey of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate?
The InChIKey is JMMOQNCIYAMRDB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate?
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl butanoate is sourced from PubChem (CID 11095677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).