2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide

C10H19NO5 — CID 170683553

IUPAC2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide
SMILESCC1(C)OCC(CO)(COCC(N)=O)CO1
InChIInChI=1S/C10H19NO5/c1-9(2)15-6-10(4-12,7-16-9)5-14-3-8(11)13/h12H,3-7H2,1-2H3,(H2,11,13)
InChIKeyZCEXKCFITMRPPW-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.75
Rot. Bonds5

About 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide

2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide (PubChem CID 170683553) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide
PubChem CID170683553
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide
SMILESCC1(C)OCC(CO)(COCC(N)=O)CO1
InChIInChI=1S/C10H19NO5/c1-9(2)15-6-10(4-12,7-16-9)5-14-3-8(11)13/h12H,3-7H2,1-2H3,(H2,11,13)
InChIKeyZCEXKCFITMRPPW-UHFFFAOYSA-N
XLogP-0.75
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid
CID 139380932
[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
CID 68562910
2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid
CID 22904249
2-[[2-(hydroxymethyl)-3-methylpyrrolidin-3-yl]methoxy]acetamide
CID 170605496
[5-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl-trimethylazanium
CID 135121813
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
(4-fluorophenyl) 2-[[2,2-dimethyl-5-(trifluoromethylsulfonyloxymethyl)-1,3-dioxan-5-yl]methoxy]acetate
CID 139381003
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
[5-(hexoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl oct-7-enoate
CID 172621222
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane
CID 12009141

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide?
The IUPAC name of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide (CID 170683553) is 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide.
What is the SMILES notation for 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide?
The canonical SMILES for 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide is CC1(C)OCC(CO)(COCC(N)=O)CO1.
What is the InChIKey of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide?
The InChIKey is ZCEXKCFITMRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2)15-6-10(4-12,7-16-9)5-14-3-8(11)13/h12H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide?
2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide has a molecular weight of 233.26 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide is sourced from PubChem (CID 170683553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).