deuterio(methoxy)methane;ethane

C4H12O — CID 90810015

IUPACdeuterio(methoxy)methane;ethane
SMILESCC.[2H]COC
InChIInChI=1S/C2H6O.C2H6/c1-3-2;1-2/h1-2H3;1-2H3/i1D;
InChIKeyZYZWGUCKAHQKAI-RWQOXAPSSA-N
MW77.15 g/mol
LogP1.29
Rot. Bonds1

About deuterio(methoxy)methane;ethane

deuterio(methoxy)methane;ethane (PubChem CID 90810015) has the molecular formula C4H12O and a molecular weight of 77.15 g/mol. Its IUPAC name is deuterio(methoxy)methane;ethane.

Molecular Properties

Compound Namedeuterio(methoxy)methane;ethane
PubChem CID90810015
Molecular FormulaC4H12O
Molecular Weight77.15 g/mol
Exact Mass77.10
IUPAC Namedeuterio(methoxy)methane;ethane
SMILESCC.[2H]COC
InChIInChI=1S/C2H6O.C2H6/c1-3-2;1-2/h1-2H3;1-2H3/i1D;
InChIKeyZYZWGUCKAHQKAI-RWQOXAPSSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Ethane;methoxymethane;propane
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CID 58127591
CID 58127591
Ethane;methanidyloxymethane;yttrium
CID 58683532
Butyl(methoxymethyl)tin
CID 87637968
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CID 91461408
CID 91461408

Frequently Asked Questions

What is the IUPAC name of deuterio(methoxy)methane;ethane?
The IUPAC name of deuterio(methoxy)methane;ethane (CID 90810015) is deuterio(methoxy)methane;ethane.
What is the SMILES notation for deuterio(methoxy)methane;ethane?
The canonical SMILES for deuterio(methoxy)methane;ethane is CC.[2H]COC.
What is the InChIKey of deuterio(methoxy)methane;ethane?
The InChIKey is ZYZWGUCKAHQKAI-RWQOXAPSSA-N. The full InChI is InChI=1S/C2H6O.C2H6/c1-3-2;1-2/h1-2H3;1-2H3/i1D;.
What are the key properties of deuterio(methoxy)methane;ethane?
deuterio(methoxy)methane;ethane has a molecular weight of 77.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(methoxy)methane;ethane is sourced from PubChem (CID 90810015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).