6-tritiocyclohexen-1-ol

C6H10O — CID 154708562

IUPAC6-tritiocyclohexen-1-ol
SMILES[3H]C1CCCC=C1O
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2/i5T
InChIKeyQHDHNVFIKWGRJR-XHHURNKPSA-N
MW100.15 g/mol
LogP2.00
Rot. Bonds

About 6-tritiocyclohexen-1-ol

6-tritiocyclohexen-1-ol (PubChem CID 154708562) has the molecular formula C6H10O and a molecular weight of 100.15 g/mol. Its IUPAC name is 6-tritiocyclohexen-1-ol.

Molecular Properties

Compound Name6-tritiocyclohexen-1-ol
PubChem CID154708562
Molecular FormulaC6H10O
Molecular Weight100.15 g/mol
Exact Mass100.08
IUPAC Name6-tritiocyclohexen-1-ol
SMILES[3H]C1CCCC=C1O
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2/i5T
InChIKeyQHDHNVFIKWGRJR-XHHURNKPSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tritiocyclohexen-1-ol?
The IUPAC name of 6-tritiocyclohexen-1-ol (CID 154708562) is 6-tritiocyclohexen-1-ol.
What is the SMILES notation for 6-tritiocyclohexen-1-ol?
The canonical SMILES for 6-tritiocyclohexen-1-ol is [3H]C1CCCC=C1O.
What is the InChIKey of 6-tritiocyclohexen-1-ol?
The InChIKey is QHDHNVFIKWGRJR-XHHURNKPSA-N. The full InChI is InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2/i5T.
What are the key properties of 6-tritiocyclohexen-1-ol?
6-tritiocyclohexen-1-ol has a molecular weight of 100.15 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tritiocyclohexen-1-ol is sourced from PubChem (CID 154708562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).