2-(oxolan-3-yl)propan-2-ol

C7H14O2 — CID 57470139

IUPAC2-(oxolan-3-yl)propan-2-ol
SMILESCC(C)(O)C1CCOC1
InChIInChI=1S/C7H14O2/c1-7(2,8)6-3-4-9-5-6/h6,8H,3-5H2,1-2H3
InChIKeyBUGIEPFKYRRGMP-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About 2-(oxolan-3-yl)propan-2-ol

2-(oxolan-3-yl)propan-2-ol (PubChem CID 57470139) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(oxolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(oxolan-3-yl)propan-2-ol
PubChem CID57470139
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(oxolan-3-yl)propan-2-ol
SMILESCC(C)(O)C1CCOC1
InChIInChI=1S/C7H14O2/c1-7(2,8)6-3-4-9-5-6/h6,8H,3-5H2,1-2H3
InChIKeyBUGIEPFKYRRGMP-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)propan-2-ol?
The IUPAC name of 2-(oxolan-3-yl)propan-2-ol (CID 57470139) is 2-(oxolan-3-yl)propan-2-ol.
What is the SMILES notation for 2-(oxolan-3-yl)propan-2-ol?
The canonical SMILES for 2-(oxolan-3-yl)propan-2-ol is CC(C)(O)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)propan-2-ol?
The InChIKey is BUGIEPFKYRRGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,8)6-3-4-9-5-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(oxolan-3-yl)propan-2-ol?
2-(oxolan-3-yl)propan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)propan-2-ol is sourced from PubChem (CID 57470139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).