2-(4-tritiocyclohexyl)ethanol

C8H16O — CID 171406976

IUPAC2-(4-tritiocyclohexyl)ethanol
SMILES[3H]C1CCC(CCO)CC1
InChIInChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2/i1T
InChIKeyQJQZRLXDLORINA-CNRUNOGKSA-N
MW130.22 g/mol
LogP1.95
Rot. Bonds2

About 2-(4-tritiocyclohexyl)ethanol

2-(4-tritiocyclohexyl)ethanol (PubChem CID 171406976) has the molecular formula C8H16O and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-(4-tritiocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-tritiocyclohexyl)ethanol
PubChem CID171406976
Molecular FormulaC8H16O
Molecular Weight130.22 g/mol
Exact Mass130.13
IUPAC Name2-(4-tritiocyclohexyl)ethanol
SMILES[3H]C1CCC(CCO)CC1
InChIInChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2/i1T
InChIKeyQJQZRLXDLORINA-CNRUNOGKSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4R)-azepan-4-yl]ethanol
CID 98601299
2-cyclopentylacetaldehyde;2-cyclopentylethanol
CID 158462189
3-[3-(2-hydroxyethyl)cyclohexyl]propan-1-ol
CID 126613373
2-spiro[4.5]decan-8-ylethanol
CID 126844404
2-[(3R)-3-cyclopentylcyclohexyl]ethanol
CID 163418407
2-cyclohexylethanol;formic acid;2-methylbutane
CID 144561300
2-cyclohept-4-en-1-ylethanol
CID 123466891
8-cyclopentyloctan-1-ol
CID 19083491
4-cycloheptylbutan-1-ol
CID 54439965
2-(9-bicyclo[3.3.1]nonanyl)ethanol
CID 57279526
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
2-(4-butylcyclohexyl)ethanol
CID 15085164

Frequently Asked Questions

What is the IUPAC name of 2-(4-tritiocyclohexyl)ethanol?
The IUPAC name of 2-(4-tritiocyclohexyl)ethanol (CID 171406976) is 2-(4-tritiocyclohexyl)ethanol.
What is the SMILES notation for 2-(4-tritiocyclohexyl)ethanol?
The canonical SMILES for 2-(4-tritiocyclohexyl)ethanol is [3H]C1CCC(CCO)CC1.
What is the InChIKey of 2-(4-tritiocyclohexyl)ethanol?
The InChIKey is QJQZRLXDLORINA-CNRUNOGKSA-N. The full InChI is InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2/i1T.
What are the key properties of 2-(4-tritiocyclohexyl)ethanol?
2-(4-tritiocyclohexyl)ethanol has a molecular weight of 130.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tritiocyclohexyl)ethanol is sourced from PubChem (CID 171406976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).