2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)

C41H68O17Os — CID 168897248

About 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)

2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+) (PubChem CID 168897248) has the molecular formula C41H68O17Os and a molecular weight of 1023.21 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+).

Molecular Properties

• Compound Name: 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)
• PubChem CID: 168897248
• Molecular Formula: C41H68O17Os
• Molecular Weight: 1023.21 g/mol
• Exact Mass: 1024.41
• IUPAC Name: 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)
• SMILES: CC1CCOC(C)(CC(=O)O)O1.CC1CCOC(C)(C[C-]=O)O1.[CH2-][C@@H](CC1(COC(=O)CC2(C)OCCC(C)O2)OCCC(C)O1)OC(=O)CC1(C)OCCC(C)O1.[Os+2]
• InChI: InChI=1S/C25H41O10.C8H14O4.C8H13O3.Os/c1-17-7-10-29-23(5,33-17)14-21(26)28-16-25(31-12-9-19(3)35-25)13-20(4)32-22(27)15-24(6)30-11-8-18(2)34-24;1-6-3-4-11-8(2,12-6)5-7(9)10;1-7-3-6-10-8(2,11-7)4-5-9;/h17-20H,4,7-16H2,1-3,5-6H3;6H,3-5H2,1-2H3,(H,9,10);7H,3-4,6H2,1-2H3;/q-1;;-1;+2/t17?,18?,19?,20-,23?,24?,25?;;;/m0.../s1
• InChIKey: XOICEGHCTCRCJE-AGIWMSCDSA-N
• XLogP: 5.08
• TPSA: 199.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1023.21
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)?

The IUPAC name of 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+) (CID 168897248) is 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+).

What is the SMILES notation for 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)?

The canonical SMILES for 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+) is CC1CCOC(C)(CC(=O)O)O1.CC1CCOC(C)(C[C-]=O)O1.[CH2-][C@@H](CC1(COC(=O)CC2(C)OCCC(C)O2)OCCC(C)O1)OC(=O)CC1(C)OCCC(C)O1.[Os+2].

What is the InChIKey of 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)?

The InChIKey is XOICEGHCTCRCJE-AGIWMSCDSA-N. The full InChI is InChI=1S/C25H41O10.C8H14O4.C8H13O3.Os/c1-17-7-10-29-23(5,33-17)14-21(26)28-16-25(31-12-9-19(3)35-25)13-20(4)32-22(27)15-24(6)30-11-8-18(2)34-24;1-6-3-4-11-8(2,12-6)5-7(9)10;1-7-3-6-10-8(2,11-7)4-5-9;/h17-20H,4,7-16H2,1-3,5-6H3;6H,3-5H2,1-2H3,(H,9,10);7H,3-4,6H2,1-2H3;/q-1;;-1;+2/t17?,18?,19?,20-,23?,24?,25?;;;/m0.../s1.

What are the key properties of 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+)?

2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+) has a molecular weight of 1023.21 g/mol, XLogP of 5.08, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetic acid;[2-[(2S)-2-[2-(2,4-dimethyl-1,3-dioxan-2-yl)acetyl]oxypropyl]-4-methyl-1,3-dioxan-2-yl]methyl 2-(2,4-dimethyl-1,3-dioxan-2-yl)acetate;2-(2,4-dimethyl-1,3-dioxan-2-yl)ethanone;osmium(2+) is sourced from PubChem (CID 168897248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).