2-propan-2-yloxane-3,4-diol

C8H16O3 — CID 70217654

IUPAC2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCCC(O)C1O
InChIInChI=1S/C8H16O3/c1-5(2)8-7(10)6(9)3-4-11-8/h5-10H,3-4H2,1-2H3
InChIKeyDYGWZCZPGQKOCP-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds1

About 2-propan-2-yloxane-3,4-diol

2-propan-2-yloxane-3,4-diol (PubChem CID 70217654) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name2-propan-2-yloxane-3,4-diol
PubChem CID70217654
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCCC(O)C1O
InChIInChI=1S/C8H16O3/c1-5(2)8-7(10)6(9)3-4-11-8/h5-10H,3-4H2,1-2H3
InChIKeyDYGWZCZPGQKOCP-UHFFFAOYSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4R)-2-methoxyoxane-3,4-diol
CID 101075515
(2S,3R,4R)-2-methoxyoxane-3,4-diol
CID 130918320
4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
2-(1-hydroxypropyl)oxolan-3-ol
CID 20736976
1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
CID 14057266
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
(3R)-2-methyloxolan-3-ol
CID 89032581
(2S,3S)-3-propan-2-yloxolan-2-ol
CID 138639961
3-propan-2-yloxolan-2-ol
CID 130130760
3-phenyl-2-propan-2-yloxolane
CID 157227826

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxane-3,4-diol?
The IUPAC name of 2-propan-2-yloxane-3,4-diol (CID 70217654) is 2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 2-propan-2-yloxane-3,4-diol?
The canonical SMILES for 2-propan-2-yloxane-3,4-diol is CC(C)C1OCCC(O)C1O.
What is the InChIKey of 2-propan-2-yloxane-3,4-diol?
The InChIKey is DYGWZCZPGQKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5(2)8-7(10)6(9)3-4-11-8/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yloxane-3,4-diol?
2-propan-2-yloxane-3,4-diol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 70217654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).