5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one

C10H18O4 — CID 166060650

IUPAC5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one
SMILESCCC(C)OCC1(C)COC(=O)OC1
InChIInChI=1S/C10H18O4/c1-4-8(2)12-5-10(3)6-13-9(11)14-7-10/h8H,4-7H2,1-3H3
InChIKeyRWNGSKDPRYJWDH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.97
Rot. Bonds4

About 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one

5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one (PubChem CID 166060650) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one
PubChem CID166060650
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one
SMILESCCC(C)OCC1(C)COC(=O)OC1
InChIInChI=1S/C10H18O4/c1-4-8(2)12-5-10(3)6-13-9(11)14-7-10/h8H,4-7H2,1-3H3
InChIKeyRWNGSKDPRYJWDH-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-Tetramethyl-1,3-dioxane
CID 11040821
Dimethyltrimethylene carbonate-trimethylene carbonate copolymer
CID 3083079
2,2-Diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979
3,3,9,9-Tetramethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 4064334
3,9-Diethyl-3,9-dimethyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 15190259
Methyl (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl-carbonate
CID 20693246
2-Ethyl-2,5,5-trimethyl-1,3-dioxane
CID 221625
5-(Methoxymethyl)-2,2,5-trimethyl-1,3-dioxane
CID 13923931
[(2S,4R,6S)-2-tert-butyl-6-methyl-1,3-dioxan-4-yl] acetate
CID 134895049
3,3-Dimethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-one
CID 9837101
5-(Ethoxymethyl)-5-methyl-1,3-dioxan-2-one
CID 14071555
(2,2,5-Trimethyl-1,3-dioxan-5-yl)methyl carbonochloridate
CID 19384829

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one?
The IUPAC name of 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one (CID 166060650) is 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one.
What is the SMILES notation for 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one?
The canonical SMILES for 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one is CCC(C)OCC1(C)COC(=O)OC1.
What is the InChIKey of 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one?
The InChIKey is RWNGSKDPRYJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-8(2)12-5-10(3)6-13-9(11)14-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one?
5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one is sourced from PubChem (CID 166060650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).