3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese

C13H22MnO6 — CID 173282402

IUPAC3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese
SMILESC=O.C=O.C=O.CC(OCC(O)CO)C1=CC=CC1.[Mn]
InChIInChI=1S/C10H16O3.3CH2O.Mn/c1-8(9-4-2-3-5-9)13-7-10(12)6-11;3*1-2;/h2-4,8,10-12H,5-7H2,1H3;3*1H2;
InChIKeyGAIRHWHZZMLJIL-UHFFFAOYSA-N
MW329.25 g/mol
LogP0.07
Rot. Bonds5

About 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese

3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese (PubChem CID 173282402) has the molecular formula C13H22MnO6 and a molecular weight of 329.25 g/mol. Its IUPAC name is 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese.

Molecular Properties

Compound Name3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese
PubChem CID173282402
Molecular FormulaC13H22MnO6
Molecular Weight329.25 g/mol
Exact Mass329.08
IUPAC Name3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese
SMILESC=O.C=O.C=O.CC(OCC(O)CO)C1=CC=CC1.[Mn]
InChIInChI=1S/C10H16O3.3CH2O.Mn/c1-8(9-4-2-3-5-9)13-7-10(12)6-11;3*1-2;/h2-4,8,10-12H,5-7H2,1H3;3*1H2;
InChIKeyGAIRHWHZZMLJIL-UHFFFAOYSA-N
XLogP0.07
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese?
The IUPAC name of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese (CID 173282402) is 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese.
What is the SMILES notation for 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese?
The canonical SMILES for 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese is C=O.C=O.C=O.CC(OCC(O)CO)C1=CC=CC1.[Mn].
What is the InChIKey of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese?
The InChIKey is GAIRHWHZZMLJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3.3CH2O.Mn/c1-8(9-4-2-3-5-9)13-7-10(12)6-11;3*1-2;/h2-4,8,10-12H,5-7H2,1H3;3*1H2;.
What are the key properties of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese?
3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese has a molecular weight of 329.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol;formaldehyde;manganese is sourced from PubChem (CID 173282402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).