actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol

C8H16Ac4O4 — CID 59933789

IUPACactinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
SMILESCC1C(O)C(O)CC(CO)C1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C8H16O4.4Ac/c1-4-7(11)5(3-9)2-6(10)8(4)12;;;;/h4-12H,2-3H2,1H3;;;;
InChIKeyCQQIKLZXAVRVES-UHFFFAOYSA-N
MW1084.21 g/mol
LogP-1.28
Rot. Bonds1

About actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol

actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol (PubChem CID 59933789) has the molecular formula C8H16Ac4O4 and a molecular weight of 1084.21 g/mol. Its IUPAC name is actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol.

Molecular Properties

Compound Nameactinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
PubChem CID59933789
Molecular FormulaC8H16Ac4O4
Molecular Weight1084.21 g/mol
Exact Mass1084.22
IUPAC Nameactinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
SMILESCC1C(O)C(O)CC(CO)C1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C8H16O4.4Ac/c1-4-7(11)5(3-9)2-6(10)8(4)12;;;;/h4-12H,2-3H2,1H3;;;;
InChIKeyCQQIKLZXAVRVES-UHFFFAOYSA-N
XLogP-1.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001084.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
CID 58771335
CID 58771335
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(2S,3S,4S,5R,6R)-6-[(1S,2R,3S,4S,6R)-3-amino-2,4-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-3,5-dihydroxy-4-methyloxane-2-carboxylic acid
CID 10043519
4,6-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-2-methylcyclohexane-1,3-diol
CID 140638045

Frequently Asked Questions

What is the IUPAC name of actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol?
The IUPAC name of actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol (CID 59933789) is actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol.
What is the SMILES notation for actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol?
The canonical SMILES for actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol is CC1C(O)C(O)CC(CO)C1O.[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol?
The InChIKey is CQQIKLZXAVRVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.4Ac/c1-4-7(11)5(3-9)2-6(10)8(4)12;;;;/h4-12H,2-3H2,1H3;;;;.
What are the key properties of actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol?
actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol has a molecular weight of 1084.21 g/mol, XLogP of -1.28, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol is sourced from PubChem (CID 59933789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).