cyclohexane-1,3-diol

C6H12O2 — CID 10433

IUPACcyclohexane-1,3-diol
SMILESOC1CCCC(O)C1
InChIInChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
InChIKeyRLMGYIOTPQVQJR-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.28
Rot. Bonds

About cyclohexane-1,3-diol

cyclohexane-1,3-diol (PubChem CID 10433) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is cyclohexane-1,3-diol.

Molecular Properties

Compound Namecyclohexane-1,3-diol
PubChem CID10433
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namecyclohexane-1,3-diol
SMILESOC1CCCC(O)C1
InChIInChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
InChIKeyRLMGYIOTPQVQJR-UHFFFAOYSA-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

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
Trans-3-methoxycyclohexanol
CID 51381273
1,3-Cyclohexanediol, cis-
CID 6432741
Cyclohexane-1,3,5-triol--water (1/2)
CID 16211857
1,2,4-Cyclohexanetriol
CID 550777
(1S,3S)-cyclohexane-1,3-diol
CID 6432541
trans-(1R,3R)-cyclohexane-1,2,3-triol
CID 13023567

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,3-diol?
The IUPAC name of cyclohexane-1,3-diol (CID 10433) is cyclohexane-1,3-diol.
What is the SMILES notation for cyclohexane-1,3-diol?
The canonical SMILES for cyclohexane-1,3-diol is OC1CCCC(O)C1.
What is the InChIKey of cyclohexane-1,3-diol?
The InChIKey is RLMGYIOTPQVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2.
What are the key properties of cyclohexane-1,3-diol?
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 cyclohexane-1,3-diol is sourced from PubChem (CID 10433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).