3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol

C10H20O3 — CID 20529882

IUPAC3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
SMILESOCCCC1CCC(CCCO)O1
InChIInChI=1S/C10H20O3/c11-7-1-3-9-5-6-10(13-9)4-2-8-12/h9-12H,1-8H2
InChIKeyZBMDMZYYZPYNOM-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.08
Rot. Bonds6

About 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol

3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol (PubChem CID 20529882) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
PubChem CID20529882
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
SMILESOCCCC1CCC(CCCO)O1
InChIInChI=1S/C10H20O3/c11-7-1-3-9-5-6-10(13-9)4-2-8-12/h9-12H,1-8H2
InChIKeyZBMDMZYYZPYNOM-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol (CID 20529882) is 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol is OCCCC1CCC(CCCO)O1.
What is the InChIKey of 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol?
The InChIKey is ZBMDMZYYZPYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c11-7-1-3-9-5-6-10(13-9)4-2-8-12/h9-12H,1-8H2.
What are the key properties of 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol?
3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 20529882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).