1-(tritiomethoxy)hexane

C7H16O — CID 59047601

IUPAC1-(tritiomethoxy)hexane
SMILES[3H]COCCCCCC
InChIInChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3/i2T
InChIKeyICBJCVRQDSQPGI-FUPOQFPWSA-N
MW118.21 g/mol
LogP2.21
Rot. Bonds6

About 1-(tritiomethoxy)hexane

1-(tritiomethoxy)hexane (PubChem CID 59047601) has the molecular formula C7H16O and a molecular weight of 118.21 g/mol. Its IUPAC name is 1-(tritiomethoxy)hexane.

Molecular Properties

Compound Name1-(tritiomethoxy)hexane
PubChem CID59047601
Molecular FormulaC7H16O
Molecular Weight118.21 g/mol
Exact Mass118.13
IUPAC Name1-(tritiomethoxy)hexane
SMILES[3H]COCCCCCC
InChIInChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3/i2T
InChIKeyICBJCVRQDSQPGI-FUPOQFPWSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.21
LogP ≤ 52.21
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)hexane?
The IUPAC name of 1-(tritiomethoxy)hexane (CID 59047601) is 1-(tritiomethoxy)hexane.
What is the SMILES notation for 1-(tritiomethoxy)hexane?
The canonical SMILES for 1-(tritiomethoxy)hexane is [3H]COCCCCCC.
What is the InChIKey of 1-(tritiomethoxy)hexane?
The InChIKey is ICBJCVRQDSQPGI-FUPOQFPWSA-N. The full InChI is InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3/i2T.
What are the key properties of 1-(tritiomethoxy)hexane?
1-(tritiomethoxy)hexane has a molecular weight of 118.21 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tritiomethoxy)hexane is sourced from PubChem (CID 59047601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).