(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane

C10H20O3 — CID 167458632

IUPAC(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane
SMILESCC(C)[C@H](C)OC[C@@H]1COCCO1
InChIInChI=1S/C10H20O3/c1-8(2)9(3)13-7-10-6-11-4-5-12-10/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeySLKPZOIHJULRMD-UWVGGRQHSA-N
MW188.27 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane

(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane (PubChem CID 167458632) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane.

Molecular Properties

Compound Name(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane
PubChem CID167458632
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane
SMILESCC(C)[C@H](C)OC[C@@H]1COCCO1
InChIInChI=1S/C10H20O3/c1-8(2)9(3)13-7-10-6-11-4-5-12-10/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeySLKPZOIHJULRMD-UWVGGRQHSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 118052162
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
2-(2,3-dimethylbutyl)-1,4-dioxane
CID 178009614
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
2-(propan-2-yloxymethyl)oxirane
CID 159998967
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl methanesulfonate
CID 10714329
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane?
The IUPAC name of (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane (CID 167458632) is (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane.
What is the SMILES notation for (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane?
The canonical SMILES for (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane is CC(C)[C@H](C)OC[C@@H]1COCCO1.
What is the InChIKey of (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane?
The InChIKey is SLKPZOIHJULRMD-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)9(3)13-7-10-6-11-4-5-12-10/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane?
(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane has a molecular weight of 188.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane is sourced from PubChem (CID 167458632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).