(2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol

C7H13O2P — CID 58581967

IUPAC(2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol
SMILES[3H]POC(CC#C)[C@@H](C)CO
InChIInChI=1S/C7H13O2P/c1-3-4-7(9-10)6(2)5-8/h1,6-8H,4-5,10H2,2H3/t6-,7?/m0/s1/i10T/t6-,7?,10?
InChIKeyCVDSAXUTTNSFTB-QROXQOHUSA-N
MW162.16 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol

(2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol (PubChem CID 58581967) has the molecular formula C7H13O2P and a molecular weight of 162.16 g/mol. Its IUPAC name is (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol
PubChem CID58581967
Molecular FormulaC7H13O2P
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol
SMILES[3H]POC(CC#C)[C@@H](C)CO
InChIInChI=1S/C7H13O2P/c1-3-4-7(9-10)6(2)5-8/h1,6-8H,4-5,10H2,2H3/t6-,7?/m0/s1/i10T/t6-,7?,10?
InChIKeyCVDSAXUTTNSFTB-QROXQOHUSA-N
XLogP0.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol?
The IUPAC name of (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol (CID 58581967) is (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol?
The canonical SMILES for (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol is [3H]POC(CC#C)[C@@H](C)CO.
What is the InChIKey of (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol?
The InChIKey is CVDSAXUTTNSFTB-QROXQOHUSA-N. The full InChI is InChI=1S/C7H13O2P/c1-3-4-7(9-10)6(2)5-8/h1,6-8H,4-5,10H2,2H3/t6-,7?/m0/s1/i10T/t6-,7?,10?.
What are the key properties of (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol?
(2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol has a molecular weight of 162.16 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-tritiophosphanyloxyhex-5-yn-1-ol is sourced from PubChem (CID 58581967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).