1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)

C8H16Mo2O10 — CID 161329413

IUPAC1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)
SMILESO=C(CCO)CCO.O=CC(O)CO.O=[Mo]=O.O=[Mo]=O
InChIInChI=1S/C5H10O3.C3H6O3.2Mo.4O/c6-3-1-5(8)2-4-7;4-1-3(6)2-5;;;;;;/h6-7H,1-4H2;1,3,5-6H,2H2;;;;;;
InChIKeyRXKMUKQVPWHNHY-UHFFFAOYSA-N
MW464.09 g/mol
LogP-2.62
Rot. Bonds6

About 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)

1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum) (PubChem CID 161329413) has the molecular formula C8H16Mo2O10 and a molecular weight of 464.09 g/mol. Its IUPAC name is 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum).

Molecular Properties

Compound Name1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)
PubChem CID161329413
Molecular FormulaC8H16Mo2O10
Molecular Weight464.09 g/mol
Exact Mass467.89
IUPAC Name1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)
SMILESO=C(CCO)CCO.O=CC(O)CO.O=[Mo]=O.O=[Mo]=O
InChIInChI=1S/C5H10O3.C3H6O3.2Mo.4O/c6-3-1-5(8)2-4-7;4-1-3(6)2-5;;;;;;/h6-7H,1-4H2;1,3,5-6H,2H2;;;;;;
InChIKeyRXKMUKQVPWHNHY-UHFFFAOYSA-N
XLogP-2.62
TPSA183.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.09
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

dicarboxy carbonate;2,3-dihydroxypropanal
CID 161413391
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CID 46204401
(2R,5R)-hex-3-ene-1,2,5,6-tetrol
CID 88508901
1-hydroxy-5-[2-[5-[2-(5-hydroxy-3-oxopentyl)sulfanylethylsulfanyl]-3-oxopentyl]sulfanylethylsulfanyl]pentan-3-one
CID 57196981
8-hydroxy-6-oxooctanoic acid
CID 22280337
1-amino-4-hydroxybutan-2-one
CID 13368156
1-hydroxyundecane-3,8-dione
CID 134266398
4-hydroxy-2,5-dioxopentanoic acid
CID 163405135
(E)-4,6-dihydroxy-2-methylhex-2-enoic acid
CID 57430856

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)?
The IUPAC name of 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum) (CID 161329413) is 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum).
What is the SMILES notation for 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)?
The canonical SMILES for 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum) is O=C(CCO)CCO.O=CC(O)CO.O=[Mo]=O.O=[Mo]=O.
What is the InChIKey of 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)?
The InChIKey is RXKMUKQVPWHNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O3.2Mo.4O/c6-3-1-5(8)2-4-7;4-1-3(6)2-5;;;;;;/h6-7H,1-4H2;1,3,5-6H,2H2;;;;;;.
What are the key properties of 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)?
1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum) has a molecular weight of 464.09 g/mol, XLogP of -2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum) is sourced from PubChem (CID 161329413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).