3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol

C9H18O4 — CID 13464117

IUPAC3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol
SMILESOCCCOCCC1OCCCO1
InChIInChI=1S/C9H18O4/c10-4-1-5-11-8-3-9-12-6-2-7-13-9/h9-10H,1-8H2
InChIKeyBVIPOYHEZUXXFZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.54
Rot. Bonds6

About 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol

3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol (PubChem CID 13464117) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol
PubChem CID13464117
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol
SMILESOCCCOCCC1OCCCO1
InChIInChI=1S/C9H18O4/c10-4-1-5-11-8-3-9-12-6-2-7-13-9/h9-10H,1-8H2
InChIKeyBVIPOYHEZUXXFZ-UHFFFAOYSA-N
XLogP0.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol (CID 13464117) is 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol is OCCCOCCC1OCCCO1.
What is the InChIKey of 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol?
The InChIKey is BVIPOYHEZUXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c10-4-1-5-11-8-3-9-12-6-2-7-13-9/h9-10H,1-8H2.
What are the key properties of 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol?
3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol has a molecular weight of 190.24 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxan-2-yl)ethoxy]propan-1-ol is sourced from PubChem (CID 13464117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).