(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol

C10H20O2 — CID 130438261

IUPAC(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
SMILESCC(C)[C@@H]1C[C@@H](O)[C@H](C(C)C)O1
InChIInChI=1S/C10H20O2/c1-6(2)9-5-8(11)10(12-9)7(3)4/h6-11H,5H2,1-4H3/t8-,9+,10+/m1/s1
InChIKeyFKASTQYXGNQPOD-UTLUCORTSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds2

About (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol

(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol (PubChem CID 130438261) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
PubChem CID130438261
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
SMILESCC(C)[C@@H]1C[C@@H](O)[C@H](C(C)C)O1
InChIInChI=1S/C10H20O2/c1-6(2)9-5-8(11)10(12-9)7(3)4/h6-11H,5H2,1-4H3/t8-,9+,10+/m1/s1
InChIKeyFKASTQYXGNQPOD-UTLUCORTSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,6R)-3-amino-2-methyl-6-propan-2-yloxan-4-ol
CID 89411183
(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
CID 175800512
3-methyl-2,6-di(propan-2-yl)oxane
CID 144905870
4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
CID 162710756
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(2R,3R,5R)-5-methoxy-2-[(1R)-1-methoxyethyl]oxolan-3-ol
CID 15927279
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
CID 163523755
(2S)-4-(dimethylamino)-6-[2-(dimethylamino)-1-hydroxyethyl]-2-propan-2-yloxan-3-ol
CID 165163189
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol?
The IUPAC name of (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol (CID 130438261) is (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol is CC(C)[C@@H]1C[C@@H](O)[C@H](C(C)C)O1.
What is the InChIKey of (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol?
The InChIKey is FKASTQYXGNQPOD-UTLUCORTSA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)9-5-8(11)10(12-9)7(3)4/h6-11H,5H2,1-4H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol?
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol is sourced from PubChem (CID 130438261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).