1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one

C19H34O5 — CID 58468453

IUPAC1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one
SMILESCC[C@@H]1C[C@H](CCC(=O)[C@H]2C[C@@H](CC)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C19H34O5/c1-7-13-11-15(23-18(3,4)21-13)9-10-16(20)17-12-14(8-2)22-19(5,6)24-17/h13-15,17H,7-12H2,1-6H3/t13-,14-,15+,17-/m1/s1
InChIKeyWFQASPPJPYXWBS-PNBKFKSVSA-N
MW342.48 g/mol
LogP3.98
Rot. Bonds6

About 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one

1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one (PubChem CID 58468453) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one.

Molecular Properties

Compound Name1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one
PubChem CID58468453
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one
SMILESCC[C@@H]1C[C@H](CCC(=O)[C@H]2C[C@@H](CC)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C19H34O5/c1-7-13-11-15(23-18(3,4)21-13)9-10-16(20)17-12-14(8-2)22-19(5,6)24-17/h13-15,17H,7-12H2,1-6H3/t13-,14-,15+,17-/m1/s1
InChIKeyWFQASPPJPYXWBS-PNBKFKSVSA-N
XLogP3.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one with MolForge

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Related Compounds

1,7-Dioxaspiro[5.5]undecan-3-one
CID 11041141
3-(2-Oxoheptadecyloxy)-2-methoxypropyl tetrahydropyranyl ether
CID 13563079
1-[2-Methoxy-3-(oxan-2-yloxy)propoxy]octadecan-2-one
CID 20213835
1-[2-Methoxy-3-(oxan-2-yloxy)propoxy]icosan-2-one
CID 20213839
1-[2-Methoxy-3-(oxan-2-yloxy)propoxy]hexadecan-2-one
CID 20213840
5-(Oxan-2-yloxy)undecane-2,4-dione
CID 23584006
2-[3-(2,4,5-Trimethyl-1,3-dioxolan-2-yl)propyl]oxan-3-one
CID 68143378
8-Methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione
CID 91048871
6,6-Dimethoxy-2-pentyloxan-3-one
CID 139804786
5-(Oxan-2-yloxy)tridecane-2,4-dione
CID 140058709
(4S,6S)-6-[[(4S,6R)-6-(3-ethyl-5-methylheptyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 144843584
1,7-Dioxaspiro[5.5]undecan-5-one
CID 14142431

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one?
The IUPAC name of 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one (CID 58468453) is 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one.
What is the SMILES notation for 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one?
The canonical SMILES for 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one is CC[C@@H]1C[C@H](CCC(=O)[C@H]2C[C@@H](CC)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one?
The InChIKey is WFQASPPJPYXWBS-PNBKFKSVSA-N. The full InChI is InChI=1S/C19H34O5/c1-7-13-11-15(23-18(3,4)21-13)9-10-16(20)17-12-14(8-2)22-19(5,6)24-17/h13-15,17H,7-12H2,1-6H3/t13-,14-,15+,17-/m1/s1.
What are the key properties of 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one?
1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-one is sourced from PubChem (CID 58468453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).