2-(oxan-2-yl)propane-1,2-diol

C8H16O3 — CID 57055425

IUPAC2-(oxan-2-yl)propane-1,2-diol
SMILESCC(O)(CO)C1CCCCO1
InChIInChI=1S/C8H16O3/c1-8(10,6-9)7-4-2-3-5-11-7/h7,9-10H,2-6H2,1H3
InChIKeyBNGACAVEZWIEAL-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.30
Rot. Bonds2

About 2-(oxan-2-yl)propane-1,2-diol

2-(oxan-2-yl)propane-1,2-diol (PubChem CID 57055425) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(oxan-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(oxan-2-yl)propane-1,2-diol
PubChem CID57055425
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(oxan-2-yl)propane-1,2-diol
SMILESCC(O)(CO)C1CCCCO1
InChIInChI=1S/C8H16O3/c1-8(10,6-9)7-4-2-3-5-11-7/h7,9-10H,2-6H2,1H3
InChIKeyBNGACAVEZWIEAL-UHFFFAOYSA-N
XLogP0.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)propane-1,2-diol?
The IUPAC name of 2-(oxan-2-yl)propane-1,2-diol (CID 57055425) is 2-(oxan-2-yl)propane-1,2-diol.
What is the SMILES notation for 2-(oxan-2-yl)propane-1,2-diol?
The canonical SMILES for 2-(oxan-2-yl)propane-1,2-diol is CC(O)(CO)C1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)propane-1,2-diol?
The InChIKey is BNGACAVEZWIEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(10,6-9)7-4-2-3-5-11-7/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-(oxan-2-yl)propane-1,2-diol?
2-(oxan-2-yl)propane-1,2-diol has a molecular weight of 160.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)propane-1,2-diol is sourced from PubChem (CID 57055425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).