6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)

C12H22O8Y2 — CID 140635711

IUPAC6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)
SMILESO=C(OCCO)OCCCCCCOC(=O)OCCO.[Y].[Y]
InChIInChI=1S/C12H22O8.2Y/c13-5-9-19-11(15)17-7-3-1-2-4-8-18-12(16)20-10-6-14;;/h13-14H,1-10H2;;
InChIKeyIQWUSJGDNURXPF-UHFFFAOYSA-N
MW472.11 g/mol
LogP0.83
Rot. Bonds11

About 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)

6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium) (PubChem CID 140635711) has the molecular formula C12H22O8Y2 and a molecular weight of 472.11 g/mol. Its IUPAC name is 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium).

Molecular Properties

Compound Name6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)
PubChem CID140635711
Molecular FormulaC12H22O8Y2
Molecular Weight472.11 g/mol
Exact Mass471.94
IUPAC Name6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)
SMILESO=C(OCCO)OCCCCCCOC(=O)OCCO.[Y].[Y]
InChIInChI=1S/C12H22O8.2Y/c13-5-9-19-11(15)17-7-3-1-2-4-8-18-12(16)20-10-6-14;;/h13-14H,1-10H2;;
InChIKeyIQWUSJGDNURXPF-UHFFFAOYSA-N
XLogP0.83
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.11
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(5-hydroxypentyl) carbonate
CID 54559104
6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
CID 21031358
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507
6-carboxyoxyhexyl 6-hydroxyhexyl carbonate
CID 171600611
bis(6-aminohexyl) carbonate
CID 87932900
heptyl octyl carbonate
CID 21498015
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)?
The IUPAC name of 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium) (CID 140635711) is 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium).
What is the SMILES notation for 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)?
The canonical SMILES for 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium) is O=C(OCCO)OCCCCCCOC(=O)OCCO.[Y].[Y].
What is the InChIKey of 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)?
The InChIKey is IQWUSJGDNURXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O8.2Y/c13-5-9-19-11(15)17-7-3-1-2-4-8-18-12(16)20-10-6-14;;/h13-14H,1-10H2;;.
What are the key properties of 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)?
6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium) has a molecular weight of 472.11 g/mol, XLogP of 0.83, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium) is sourced from PubChem (CID 140635711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).