trans-(1S,3S)-cyclohexane-1,3-diol

C6H12O2 — CID 6432541

IUPACtrans-(1S,3S)-cyclohexane-1,3-diol
SMILESO[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyRLMGYIOTPQVQJR-WDSKDSINSA-N
MW116.16 g/mol
LogP0.28
Rot. Bonds

About trans-(1S,3S)-cyclohexane-1,3-diol

trans-(1S,3S)-cyclohexane-1,3-diol (PubChem CID 6432541) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is trans-(1S,3S)-cyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1S,3S)-cyclohexane-1,3-diol
PubChem CID6432541
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Nametrans-(1S,3S)-cyclohexane-1,3-diol
SMILESO[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyRLMGYIOTPQVQJR-WDSKDSINSA-N
XLogP0.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Cyclohexanediol
CID 10433
Cis-3-methoxycyclohexanol
CID 249259
1,3,5-Cyclohexanetriol, (1alpha,3alpha,5alpha)-
CID 230351
Cyclohexane-1,2,3-triol
CID 222962
1,3-Cyclohexanediol, trans-
CID 6950744
1,3,5-Hexanetriol
CID 110965
3,5-Dimethoxycyclohexan-1-ol
CID 547125
1,3-Cyclohexanediol, cis-
CID 6432741
Cyclohexane-1,3,5-triol--water (1/2)
CID 16211857
1,2,4-Cyclohexanetriol
CID 550777
Trans-3-methoxycyclohexanol
CID 51381273
trans-(1R,3R)-cyclohexane-1,2,3-triol
CID 13023567

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-cyclohexane-1,3-diol?
The IUPAC name of trans-(1S,3S)-cyclohexane-1,3-diol (CID 6432541) is trans-(1S,3S)-cyclohexane-1,3-diol.
What is the SMILES notation for trans-(1S,3S)-cyclohexane-1,3-diol?
The canonical SMILES for trans-(1S,3S)-cyclohexane-1,3-diol is O[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-cyclohexane-1,3-diol?
The InChIKey is RLMGYIOTPQVQJR-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-cyclohexane-1,3-diol?
trans-(1S,3S)-cyclohexane-1,3-diol has a molecular weight of 116.16 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-cyclohexane-1,3-diol is sourced from PubChem (CID 6432541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).