1-(tritiomethoxy)propane

C4H10O — CID 58300469

IUPAC1-(tritiomethoxy)propane
SMILES[3H]COCCC
InChIInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3/i2T
InChIKeyVNKYTQGIUYNRMY-FUPOQFPWSA-N
MW76.13 g/mol
LogP1.04
Rot. Bonds3

About 1-(tritiomethoxy)propane

1-(tritiomethoxy)propane (PubChem CID 58300469) has the molecular formula C4H10O and a molecular weight of 76.13 g/mol. Its IUPAC name is 1-(tritiomethoxy)propane.

Molecular Properties

Compound Name1-(tritiomethoxy)propane
PubChem CID58300469
Molecular FormulaC4H10O
Molecular Weight76.13 g/mol
Exact Mass76.08
IUPAC Name1-(tritiomethoxy)propane
SMILES[3H]COCCC
InChIInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3/i2T
InChIKeyVNKYTQGIUYNRMY-FUPOQFPWSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(tritiomethoxy)propane?
The IUPAC name of 1-(tritiomethoxy)propane (CID 58300469) is 1-(tritiomethoxy)propane.
What is the SMILES notation for 1-(tritiomethoxy)propane?
The canonical SMILES for 1-(tritiomethoxy)propane is [3H]COCCC.
What is the InChIKey of 1-(tritiomethoxy)propane?
The InChIKey is VNKYTQGIUYNRMY-FUPOQFPWSA-N. The full InChI is InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3/i2T.
What are the key properties of 1-(tritiomethoxy)propane?
1-(tritiomethoxy)propane has a molecular weight of 76.13 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tritiomethoxy)propane is sourced from PubChem (CID 58300469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).