(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol

C9H18O5 — CID 129172685

IUPAC(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(O)O[C@@H]1CCC([C@H](O)CO)O1
InChIInChI=1S/C9H18O5/c1-9(2,12)14-8-4-3-7(13-8)6(11)5-10/h6-8,10-12H,3-5H2,1-2H3/t6-,7?,8-/m1/s1
InChIKeyRBHPKAVMPFBLFL-OECOWPMFSA-N
MW206.24 g/mol
LogP-0.41
Rot. Bonds4

About (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol

(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol (PubChem CID 129172685) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
PubChem CID129172685
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(O)O[C@@H]1CCC([C@H](O)CO)O1
InChIInChI=1S/C9H18O5/c1-9(2,12)14-8-4-3-7(13-8)6(11)5-10/h6-8,10-12H,3-5H2,1-2H3/t6-,7?,8-/m1/s1
InChIKeyRBHPKAVMPFBLFL-OECOWPMFSA-N
XLogP-0.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 134524619
(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
CID 13108348
(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol
CID 25228527
1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol
CID 90881026
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
methanol;2-(oxetan-2-yloxy)oxetane;propane-1,2,3-triol
CID 155092392
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
hexane-1,2,5,6-tetrol;[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol;[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 159317615
2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol
CID 90874166
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,12R)-15-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-12-(methoxymethoxy)pentadecyl]oxolan-2-yl]oxolan-2-yl]ethane-1,2-diol
CID 10483974

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol (CID 129172685) is (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol is CC(C)(O)O[C@@H]1CCC([C@H](O)CO)O1.
What is the InChIKey of (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
The InChIKey is RBHPKAVMPFBLFL-OECOWPMFSA-N. The full InChI is InChI=1S/C9H18O5/c1-9(2,12)14-8-4-3-7(13-8)6(11)5-10/h6-8,10-12H,3-5H2,1-2H3/t6-,7?,8-/m1/s1.
What are the key properties of (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 129172685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).