(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol

C9H18O5 — CID 134524619

IUPAC(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(O)O[C@H]1CO[C@H]([C@H](O)CO)C1
InChIInChI=1S/C9H18O5/c1-9(2,12)14-6-3-8(13-5-6)7(11)4-10/h6-8,10-12H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyGJKYJBNLVLVPKU-PRJMDXOYSA-N
MW206.24 g/mol
LogP-0.76
Rot. Bonds4

About (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol (PubChem CID 134524619) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
PubChem CID134524619
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(O)O[C@H]1CO[C@H]([C@H](O)CO)C1
InChIInChI=1S/C9H18O5/c1-9(2,12)14-6-3-8(13-5-6)7(11)4-10/h6-8,10-12H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyGJKYJBNLVLVPKU-PRJMDXOYSA-N
XLogP-0.76
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 ≤ 5-0.76
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-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 129172685
2-(oxiran-2-yl)propane-1,3-diol
CID 18506434
(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol
CID 154474298
(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol
CID 88929556
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
2,2-dimethoxypropane;(1R)-1-[(2S,3R,4S)-3-hydroxy-4-methyloxolan-2-yl]ethane-1,2-diol
CID 90874166
1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 13379201
(1R)-1-[(2R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
CID 135037817
(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3-diol
CID 101290230

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol (CID 134524619) is (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol is CC(C)(O)O[C@H]1CO[C@H]([C@H](O)CO)C1.
What is the InChIKey of (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
The InChIKey is GJKYJBNLVLVPKU-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-9(2,12)14-6-3-8(13-5-6)7(11)4-10/h6-8,10-12H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,4R)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 134524619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).