3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol

C8H16O4 — CID 117168285

IUPAC3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1OCC(CCO)O1
InChIInChI=1S/C8H16O4/c9-4-1-2-8-11-6-7(12-8)3-5-10/h7-10H,1-6H2
InChIKeyPSOLQZISQFGXGQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol

3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol (PubChem CID 117168285) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
PubChem CID117168285
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1OCC(CCO)O1
InChIInChI=1S/C8H16O4/c9-4-1-2-8-11-6-7(12-8)3-5-10/h7-10H,1-6H2
InChIKeyPSOLQZISQFGXGQ-UHFFFAOYSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
CID 159329704
4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
CID 22596460
6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117168556
2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169456
ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol
CID 145311557
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
CID 20529882
[2-[7-[4-(hydroxymethyl)-1,3-dioxan-2-yl]heptyl]-1,3-dioxan-4-yl]methanol
CID 11302020
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol (CID 117168285) is 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol is OCCCC1OCC(CCO)O1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The InChIKey is PSOLQZISQFGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c9-4-1-2-8-11-6-7(12-8)3-5-10/h7-10H,1-6H2.
What are the key properties of 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol is sourced from PubChem (CID 117168285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).