1,1,1,2,3,3,3-heptadeuteriopropane

C3H8 — CID 10511085

IUPAC1,1,1,2,3,3,3-heptadeuteriopropane
SMILES[2H]C(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i1D3,2D3,3D
InChIKeyATUOYWHBWRKTHZ-YYWVXINBSA-N
MW51.14 g/mol
LogP1.42
Rot. Bonds2

About 1,1,1,2,3,3,3-heptadeuteriopropane

1,1,1,2,3,3,3-heptadeuteriopropane (PubChem CID 10511085) has the molecular formula C3H8 and a molecular weight of 51.14 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptadeuteriopropane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptadeuteriopropane
PubChem CID10511085
Molecular FormulaC3H8
Molecular Weight51.14 g/mol
Exact Mass51.11
IUPAC Name1,1,1,2,3,3,3-heptadeuteriopropane
SMILES[2H]C(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i1D3,2D3,3D
InChIKeyATUOYWHBWRKTHZ-YYWVXINBSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50051.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptadeuteriopropane?
The IUPAC name of 1,1,1,2,3,3,3-heptadeuteriopropane (CID 10511085) is 1,1,1,2,3,3,3-heptadeuteriopropane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptadeuteriopropane?
The canonical SMILES for 1,1,1,2,3,3,3-heptadeuteriopropane is [2H]C(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,2,3,3,3-heptadeuteriopropane?
The InChIKey is ATUOYWHBWRKTHZ-YYWVXINBSA-N. The full InChI is InChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i1D3,2D3,3D.
What are the key properties of 1,1,1,2,3,3,3-heptadeuteriopropane?
1,1,1,2,3,3,3-heptadeuteriopropane has a molecular weight of 51.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptadeuteriopropane is sourced from PubChem (CID 10511085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).