deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)

C52H166 — CID 157118643

IUPACdeuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[3H]CC.[3H]CC.[3H]CC.[3H]CC.[H][2H].[H][2H].[H][2H]
InChIInChI=1S/24C2H6.4CH4.3H2/c24*1-2;;;;;;;/h24*1-2H3;4*1H4;3*1H/i4*1T;6*1D;;;;;;;;;;;;;;;;;;;3*1+1
InChIKeyAHRSEZDVFYSZGA-YUKRNYKKSA-N
MW808.99 g/mol
LogP27.91
Rot. Bonds

About deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)

deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane) (PubChem CID 157118643) has the molecular formula C52H166 and a molecular weight of 808.99 g/mol. Its IUPAC name is deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane).

Molecular Properties

Compound Namedeuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)
PubChem CID157118643
Molecular FormulaC52H166
Molecular Weight808.99 g/mol
Exact Mass808.39
IUPAC Namedeuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[3H]CC.[3H]CC.[3H]CC.[3H]CC.[H][2H].[H][2H].[H][2H]
InChIInChI=1S/24C2H6.4CH4.3H2/c24*1-2;;;;;;;/h24*1-2H3;4*1H4;3*1H/i4*1T;6*1D;;;;;;;;;;;;;;;;;;;3*1+1
InChIKeyAHRSEZDVFYSZGA-YUKRNYKKSA-N
XLogP27.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 527.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)?
The IUPAC name of deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane) (CID 157118643) is deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane).
What is the SMILES notation for deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)?
The canonical SMILES for deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane) is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[2H]CC.[3H]CC.[3H]CC.[3H]CC.[3H]CC.[H][2H].[H][2H].[H][2H].
What is the InChIKey of deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)?
The InChIKey is AHRSEZDVFYSZGA-YUKRNYKKSA-N. The full InChI is InChI=1S/24C2H6.4CH4.3H2/c24*1-2;;;;;;;/h24*1-2H3;4*1H4;3*1H/i4*1T;6*1D;;;;;;;;;;;;;;;;;;;3*1+1.
What are the key properties of deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane)?
deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane) has a molecular weight of 808.99 g/mol, XLogP of 27.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethane;deuterium monohydride;ethane;methane;tetrakis(tritioethane) is sourced from PubChem (CID 157118643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).