deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne

C7H17P — CID 159697157

IUPACdeuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne
SMILESC.[2H]P(C)CC.[3H]C#CC
InChIInChI=1S/C3H9P.C3H4.CH4/c1-3-4-2;1-3-2;/h4H,3H2,1-2H3;1H,2H3;1H4/i4D;1T;
InChIKeyMXDQPDGPXALJKX-SCIMQQLDSA-N
MW135.20 g/mol
LogP2.59
Rot. Bonds1

About deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne

deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne (PubChem CID 159697157) has the molecular formula C7H17P and a molecular weight of 135.20 g/mol. Its IUPAC name is deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne.

Molecular Properties

Compound Namedeuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne
PubChem CID159697157
Molecular FormulaC7H17P
Molecular Weight135.20 g/mol
Exact Mass135.12
IUPAC Namedeuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne
SMILESC.[2H]P(C)CC.[3H]C#CC
InChIInChI=1S/C3H9P.C3H4.CH4/c1-3-4-2;1-3-2;/h4H,3H2,1-2H3;1H,2H3;1H4/i4D;1T;
InChIKeyMXDQPDGPXALJKX-SCIMQQLDSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne?
The IUPAC name of deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne (CID 159697157) is deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne.
What is the SMILES notation for deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne?
The canonical SMILES for deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne is C.[2H]P(C)CC.[3H]C#CC.
What is the InChIKey of deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne?
The InChIKey is MXDQPDGPXALJKX-SCIMQQLDSA-N. The full InChI is InChI=1S/C3H9P.C3H4.CH4/c1-3-4-2;1-3-2;/h4H,3H2,1-2H3;1H,2H3;1H4/i4D;1T;.
What are the key properties of deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne?
deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne has a molecular weight of 135.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne is sourced from PubChem (CID 159697157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).