(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)

C6H10O7Y2 — CID 58097660

IUPAC(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)
SMILESCOCC(O)(OC=O)C(O)OC=O.[Y].[Y]
InChIInChI=1S/C6H10O7.2Y/c1-11-2-6(10,13-4-8)5(9)12-3-7;;/h3-5,9-10H,2H2,1H3;;
InChIKeyJJRLLPZZEHVNIP-UHFFFAOYSA-N
MW371.95 g/mol
LogP-2.02
Rot. Bonds7

About (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)

(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium) (PubChem CID 58097660) has the molecular formula C6H10O7Y2 and a molecular weight of 371.95 g/mol. Its IUPAC name is (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium).

Molecular Properties

Compound Name(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)
PubChem CID58097660
Molecular FormulaC6H10O7Y2
Molecular Weight371.95 g/mol
Exact Mass371.85
IUPAC Name(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)
SMILESCOCC(O)(OC=O)C(O)OC=O.[Y].[Y]
InChIInChI=1S/C6H10O7.2Y/c1-11-2-6(10,13-4-8)5(9)12-3-7;;/h3-5,9-10H,2H2,1H3;;
InChIKeyJJRLLPZZEHVNIP-UHFFFAOYSA-N
XLogP-2.02
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-formyloxy-2,3-dihydroxypentanedioic acid
CID 134309574
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
1-methoxy-2,2,4-trimethylpentan-3-ol
CID 23199457
3-methoxy-2,2-dimethylpropane-1,1-diol
CID 139679020
3-methoxy-2-(methoxymethyl)-2-methylpropanal
CID 89202050
2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid
CID 141336269
(5,5-dimethyl-1,3-dioxohexan-2-yl) formate
CID 57155660
1-hydroxypropan-2-yl formate
CID 22152793
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid
CID 145016284
2,2,3,4-tetramethylpentan-3-yl formate
CID 87469169

Frequently Asked Questions

What is the IUPAC name of (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)?
The IUPAC name of (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium) (CID 58097660) is (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium).
What is the SMILES notation for (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)?
The canonical SMILES for (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium) is COCC(O)(OC=O)C(O)OC=O.[Y].[Y].
What is the InChIKey of (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)?
The InChIKey is JJRLLPZZEHVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7.2Y/c1-11-2-6(10,13-4-8)5(9)12-3-7;;/h3-5,9-10H,2H2,1H3;;.
What are the key properties of (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)?
(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium) has a molecular weight of 371.95 g/mol, XLogP of -2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium) is sourced from PubChem (CID 58097660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).