1-(1-Hydroxycyclohexyl)cyclohexan-1-ol
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Basic information
- CAS
2888-11-1- Standard SMILES
OC1(C2(O)CCCCC2)CCCCC1- InChIKey
WPSMUSHZUADWJC-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
See also: (1,1'-Bicyclohexyl)-1,1'-diol (annotation moved to).
Names & identifiers
- Preferred name
- 1-(1-Hydroxycyclohexyl)cyclohexan-1-ol
- IUPAC
- 1-(1-hydroxycyclohexyl)cyclohexan-1-ol
- English name
- 1,1'-DIHYDROXYBICYCLOHEXYL
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
2888-11-11,1'-DIHYDROXYBICYCLOHEXYL1-(1-hydroxycyclohexyl)cyclohexan-1-ol1,1-DIHYDROXYBICYCLOHEXYL1-(1-hydroxycyclohexyl)cyclohexanol[Bicyclohexyl]-1,1'-diolNSC1472Enamine_000735[1,1'-BI(CYCLOHEXANE)]-1,1'-DIOLOprea1_706818SCHEMBL535863BICYLCOHEXYL-1,1'-DIOL
Show more names
1,1'-bi(cyclohexyl)-1,1'-diol
1,1'-Bicyclohexyl-1,1'-diolDTXSID50951513WPSMUSHZUADWJC-UHFFFAOYSA-NHMS1396B09NSC-14721,1'-bi(cyclohexane)-1,1'-diolAKOS001033331CS-0243357
Database identifiers
- CAS
2888-11-1- PubChem CID
- 219788
- DTXSID
DTXSID50951513- Nikkaji
- J542.891B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 304.3 · 304.3±10.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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