3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione

C20H30O6 — CID 59704222

IUPAC3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione
SMILESCC1C(=O)OC(=O)C1CCCCCCCCCCC1C(=O)OC(=O)C1C
InChIInChI=1S/C20H30O6/c1-13-15(19(23)25-17(13)21)11-9-7-5-3-4-6-8-10-12-16-14(2)18(22)26-20(16)24/h13-16H,3-12H2,1-2H3
InChIKeyRXTFRLVDPFLJSA-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.56
Rot. Bonds11

About 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione

3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione (PubChem CID 59704222) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione
PubChem CID59704222
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Name3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione
SMILESCC1C(=O)OC(=O)C1CCCCCCCCCCC1C(=O)OC(=O)C1C
InChIInChI=1S/C20H30O6/c1-13-15(19(23)25-17(13)21)11-9-7-5-3-4-6-8-10-12-16-14(2)18(22)26-20(16)24/h13-16H,3-12H2,1-2H3
InChIKeyRXTFRLVDPFLJSA-UHFFFAOYSA-N
XLogP3.56
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione?
The IUPAC name of 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione (CID 59704222) is 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione.
What is the SMILES notation for 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione?
The canonical SMILES for 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione is CC1C(=O)OC(=O)C1CCCCCCCCCCC1C(=O)OC(=O)C1C.
What is the InChIKey of 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione?
The InChIKey is RXTFRLVDPFLJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O6/c1-13-15(19(23)25-17(13)21)11-9-7-5-3-4-6-8-10-12-16-14(2)18(22)26-20(16)24/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione?
3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione has a molecular weight of 366.45 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione is sourced from PubChem (CID 59704222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).