ethanol;methanol;trideuterio(deuteriooxy)methane

C4H14O3 — CID 162018504

IUPACethanol;methanol;trideuterio(deuteriooxy)methane
SMILESCCO.CO.[2H]OC([2H])([2H])[2H]
InChIInChI=1S/C2H6O.2CH4O/c1-2-3;2*1-2/h3H,2H2,1H3;2*2H,1H3/i;1D3,2D;
InChIKeyYUKYVUHULHUJSC-CNLJRFSTSA-N
MW114.18 g/mol
LogP-0.78
Rot. Bonds1

About ethanol;methanol;trideuterio(deuteriooxy)methane

ethanol;methanol;trideuterio(deuteriooxy)methane (PubChem CID 162018504) has the molecular formula C4H14O3 and a molecular weight of 114.18 g/mol. Its IUPAC name is ethanol;methanol;trideuterio(deuteriooxy)methane.

Molecular Properties

Compound Nameethanol;methanol;trideuterio(deuteriooxy)methane
PubChem CID162018504
Molecular FormulaC4H14O3
Molecular Weight114.18 g/mol
Exact Mass114.12
IUPAC Nameethanol;methanol;trideuterio(deuteriooxy)methane
SMILESCCO.CO.[2H]OC([2H])([2H])[2H]
InChIInChI=1S/C2H6O.2CH4O/c1-2-3;2*1-2/h3H,2H2,1H3;2*2H,1H3/i;1D3,2D;
InChIKeyYUKYVUHULHUJSC-CNLJRFSTSA-N
XLogP-0.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;methanol;trideuterio(deuteriooxy)methane?
The IUPAC name of ethanol;methanol;trideuterio(deuteriooxy)methane (CID 162018504) is ethanol;methanol;trideuterio(deuteriooxy)methane.
What is the SMILES notation for ethanol;methanol;trideuterio(deuteriooxy)methane?
The canonical SMILES for ethanol;methanol;trideuterio(deuteriooxy)methane is CCO.CO.[2H]OC([2H])([2H])[2H].
What is the InChIKey of ethanol;methanol;trideuterio(deuteriooxy)methane?
The InChIKey is YUKYVUHULHUJSC-CNLJRFSTSA-N. The full InChI is InChI=1S/C2H6O.2CH4O/c1-2-3;2*1-2/h3H,2H2,1H3;2*2H,1H3/i;1D3,2D;.
What are the key properties of ethanol;methanol;trideuterio(deuteriooxy)methane?
ethanol;methanol;trideuterio(deuteriooxy)methane has a molecular weight of 114.18 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanol;trideuterio(deuteriooxy)methane is sourced from PubChem (CID 162018504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).