(1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol

C15H30O10 — CID 25170089

IUPAC(1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol
SMILESCOCO[C@@H]1[C@H](OCOC)[C@@H](OCOC)[C@](O)(CO)C[C@H]1OCOC
InChIInChI=1S/C15H30O10/c1-18-7-22-11-5-15(17,6-16)14(25-10-21-4)13(24-9-20-3)12(11)23-8-19-2/h11-14,16-17H,5-10H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyAKTKGCPJMNWQOR-GZBLMMOJSA-N
MW370.40 g/mol
LogP-0.93
Rot. Bonds13

About (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol

(1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol (PubChem CID 25170089) has the molecular formula C15H30O10 and a molecular weight of 370.40 g/mol. Its IUPAC name is (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol
PubChem CID25170089
Molecular FormulaC15H30O10
Molecular Weight370.40 g/mol
Exact Mass370.18
IUPAC Name(1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol
SMILESCOCO[C@@H]1[C@H](OCOC)[C@@H](OCOC)[C@](O)(CO)C[C@H]1OCOC
InChIInChI=1S/C15H30O10/c1-18-7-22-11-5-15(17,6-16)14(25-10-21-4)13(24-9-20-3)12(11)23-8-19-2/h11-14,16-17H,5-10H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyAKTKGCPJMNWQOR-GZBLMMOJSA-N
XLogP-0.93
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol
CID 134850656
[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol
CID 18670315
(3R)-3-(methoxymethoxy)oxolan-2-ol
CID 11423676
[(1R,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 102213219
1-(methoxymethoxy)-2,3-dimethylcyclohexane
CID 20746707
(1S,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-7,7-bis(hydroxymethyl)-2-(methoxymethoxy)-4-methylbicyclo[3.2.0]heptan-6-one
CID 59053156
[(1R,2R,3S,5S)-3-(methoxymethoxy)-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 102213220
[(1S,2R,3R,4R,6S)-4-(methoxymethoxy)-2,3-dimethyl-6-phenylmethoxy-3-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 11178184
1-[(2S,3R,4R,5R)-2-(1,3-dithian-2-yl)-3,4,5-tris(methoxymethoxy)piperidin-1-yl]ethanone
CID 11845546
[(1R,2S,4S)-4-amino-2-(methoxymethoxy)cyclopentyl]carbamic acid
CID 146636282
(2S,6S,7R)-7-(methoxymethoxy)-5,5,11,11-tetramethyl-6-(phenylmethoxymethoxy)bicyclo[6.2.1]undecane-1,2-diol
CID 117070838
2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol
CID 142650533

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol?
The IUPAC name of (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol (CID 25170089) is (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol is COCO[C@@H]1[C@H](OCOC)[C@@H](OCOC)[C@](O)(CO)C[C@H]1OCOC.
What is the InChIKey of (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol?
The InChIKey is AKTKGCPJMNWQOR-GZBLMMOJSA-N. The full InChI is InChI=1S/C15H30O10/c1-18-7-22-11-5-15(17,6-16)14(25-10-21-4)13(24-9-20-3)12(11)23-8-19-2/h11-14,16-17H,5-10H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol?
(1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol has a molecular weight of 370.40 g/mol, XLogP of -0.93, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5R)-1-(hydroxymethyl)-2,3,4,5-tetrakis(methoxymethoxy)cyclohexan-1-ol is sourced from PubChem (CID 25170089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).