[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol

C8H16O5 — CID 5255256

IUPAC[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol
SMILESOC1CC(C(O)O)CC(C(O)O)C1
InChIInChI=1S/C8H16O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h4-13H,1-3H2
InChIKeyAKENJNJCWDSHEY-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.62
Rot. Bonds2

About [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol

[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol (PubChem CID 5255256) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol.

Molecular Properties

Compound Name[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol
PubChem CID5255256
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol
SMILESOC1CC(C(O)O)CC(C(O)O)C1
InChIInChI=1S/C8H16O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h4-13H,1-3H2
InChIKeyAKENJNJCWDSHEY-UHFFFAOYSA-N
XLogP-1.62
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol?
The IUPAC name of [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol (CID 5255256) is [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol.
What is the SMILES notation for [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol?
The canonical SMILES for [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol is OC1CC(C(O)O)CC(C(O)O)C1.
What is the InChIKey of [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol?
The InChIKey is AKENJNJCWDSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h4-13H,1-3H2.
What are the key properties of [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol?
[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol has a molecular weight of 192.21 g/mol, XLogP of -1.62, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol is sourced from PubChem (CID 5255256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).