2-(oxan-4-yl)propan-2-ol

C8H16O2 — CID 10630629

IUPAC2-(oxan-4-yl)propan-2-ol
SMILESCC(C)(O)C1CCOCC1
InChIInChI=1S/C8H16O2/c1-8(2,9)7-3-5-10-6-4-7/h7,9H,3-6H2,1-2H3
InChIKeyQTYOMTKXFBGPTJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About 2-(oxan-4-yl)propan-2-ol

2-(oxan-4-yl)propan-2-ol (PubChem CID 10630629) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(oxan-4-yl)propan-2-ol
PubChem CID10630629
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(oxan-4-yl)propan-2-ol
SMILESCC(C)(O)C1CCOCC1
InChIInChI=1S/C8H16O2/c1-8(2,9)7-3-5-10-6-4-7/h7,9H,3-6H2,1-2H3
InChIKeyQTYOMTKXFBGPTJ-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)propan-2-ol?
The IUPAC name of 2-(oxan-4-yl)propan-2-ol (CID 10630629) is 2-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 2-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 2-(oxan-4-yl)propan-2-ol is CC(C)(O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)propan-2-ol?
The InChIKey is QTYOMTKXFBGPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2,9)7-3-5-10-6-4-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)propan-2-ol?
2-(oxan-4-yl)propan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 10630629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).