2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

C10H18O4 — CID 58468444

IUPAC2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
SMILESCC[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyGQFNFMHVCUYRRW-HTQZYQBOSA-N
MW202.25 g/mol
LogP1.78
Rot. Bonds3

About 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid (PubChem CID 58468444) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
PubChem CID58468444
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
SMILESCC[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyGQFNFMHVCUYRRW-HTQZYQBOSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The IUPAC name of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid (CID 58468444) is 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid is CC[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1.
What is the InChIKey of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The InChIKey is GQFNFMHVCUYRRW-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid is sourced from PubChem (CID 58468444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).