ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane

C12H31O7- — CID 159788755

IUPACethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane
SMILESC.C.C1CO1.OCCO.[O-]CCOCCOCCO
InChIInChI=1S/C6H13O4.C2H6O2.C2H4O.2CH4/c7-1-3-9-5-6-10-4-2-8;3-1-2-4;1-2-3-1;;/h7H,1-6H2;3-4H,1-2H2;1-2H2;2*1H4/q-1;;;;
InChIKeyNIHDHYZGMGTOMQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP-1.37
Rot. Bonds8

About ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane

ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane (PubChem CID 159788755) has the molecular formula C12H31O7- and a molecular weight of 287.37 g/mol. Its IUPAC name is ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane.

Molecular Properties

Compound Nameethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane
PubChem CID159788755
Molecular FormulaC12H31O7-
Molecular Weight287.37 g/mol
Exact Mass287.21
IUPAC Nameethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane
SMILESC.C.C1CO1.OCCO.[O-]CCOCCOCCO
InChIInChI=1S/C6H13O4.C2H6O2.C2H4O.2CH4/c7-1-3-9-5-6-10-4-2-8;3-1-2-4;1-2-3-1;;/h7H,1-6H2;3-4H,1-2H2;1-2H2;2*1H4/q-1;;;;
InChIKeyNIHDHYZGMGTOMQ-UHFFFAOYSA-N
XLogP-1.37
TPSA114.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane?
The IUPAC name of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane (CID 159788755) is ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane.
What is the SMILES notation for ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane?
The canonical SMILES for ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane is C.C.C1CO1.OCCO.[O-]CCOCCOCCO.
What is the InChIKey of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane?
The InChIKey is NIHDHYZGMGTOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4.C2H6O2.C2H4O.2CH4/c7-1-3-9-5-6-10-4-2-8;3-1-2-4;1-2-3-1;;/h7H,1-6H2;3-4H,1-2H2;1-2H2;2*1H4/q-1;;;;.
What are the key properties of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane?
ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane has a molecular weight of 287.37 g/mol, XLogP of -1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane is sourced from PubChem (CID 159788755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).