bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)

C18H32O14Y2 — CID 158570455

IUPACbis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)
SMILESCCC(O)COC(=O)OCCOC(=O)OC.CCC(O)COC(=O)OCCOC(=O)OC.[Y].[Y]
InChIInChI=1S/2C9H16O7.2Y/c2*1-3-7(10)6-16-9(12)15-5-4-14-8(11)13-2;;/h2*7,10H,3-6H2,1-2H3;;
InChIKeyDNRVMVMSBDNRDW-UHFFFAOYSA-N
MW650.25 g/mol
LogP1.38
Rot. Bonds12

About bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)

bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium) (PubChem CID 158570455) has the molecular formula C18H32O14Y2 and a molecular weight of 650.25 g/mol. Its IUPAC name is bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium).

Molecular Properties

Compound Namebis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)
PubChem CID158570455
Molecular FormulaC18H32O14Y2
Molecular Weight650.25 g/mol
Exact Mass649.99
IUPAC Namebis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)
SMILESCCC(O)COC(=O)OCCOC(=O)OC.CCC(O)COC(=O)OCCOC(=O)OC.[Y].[Y]
InChIInChI=1S/2C9H16O7.2Y/c2*1-3-7(10)6-16-9(12)15-5-4-14-8(11)13-2;;/h2*7,10H,3-6H2,1-2H3;;
InChIKeyDNRVMVMSBDNRDW-UHFFFAOYSA-N
XLogP1.38
TPSA182.58 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[2-(2-hydroxybutoxycarbonyloxy)ethoxycarbonyloxy]propan-2-yl 2-(2-hydroxybutoxycarbonyloxy)ethyl carbonate
CID 153455041
bis(2-hydroxybutyl) propanedioate
CID 90337144
bis(3,6-dihydroxyoctyl) carbonate
CID 146442796
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
2-hydroxybutyl N-[(2-hydroxybutoxycarbonylamino)methyl]carbamate
CID 59791185
2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
methane;1-methoxybutan-2-ol
CID 161499525
tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
CID 158329975
2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
decyl 2,3-dihydroxypropyl carbonate
CID 11265856
2-hydroxybutyl 3-methylbutanoate
CID 23057192

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)?
The IUPAC name of bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium) (CID 158570455) is bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium).
What is the SMILES notation for bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)?
The canonical SMILES for bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium) is CCC(O)COC(=O)OCCOC(=O)OC.CCC(O)COC(=O)OCCOC(=O)OC.[Y].[Y].
What is the InChIKey of bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)?
The InChIKey is DNRVMVMSBDNRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16O7.2Y/c2*1-3-7(10)6-16-9(12)15-5-4-14-8(11)13-2;;/h2*7,10H,3-6H2,1-2H3;;.
What are the key properties of bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)?
bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium) has a molecular weight of 650.25 g/mol, XLogP of 1.38, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium) is sourced from PubChem (CID 158570455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).