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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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).