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

C7H14O4 — CID 115094395

IUPAC3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1OCC(CO)O1
InChIInChI=1S/C7H14O4/c8-3-1-2-7-10-5-6(4-9)11-7/h6-9H,1-5H2
InChIKeyKCJYXGBEGMOMMB-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds4

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

3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol (PubChem CID 115094395) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
PubChem CID115094395
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1OCC(CO)O1
InChIInChI=1S/C7H14O4/c8-3-1-2-7-10-5-6(4-9)11-7/h6-9H,1-5H2
InChIKeyKCJYXGBEGMOMMB-UHFFFAOYSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
CID 22596460
[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 125479888
[2-[7-[4-(hydroxymethyl)-1,3-dioxan-2-yl]heptyl]-1,3-dioxan-4-yl]methanol
CID 11302020
[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol
CID 123961032
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 173452777
[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol
CID 102005927
6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol (CID 115094395) is 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol is OCCCC1OCC(CO)O1.
What is the InChIKey of 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The InChIKey is KCJYXGBEGMOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c8-3-1-2-7-10-5-6(4-9)11-7/h6-9H,1-5H2.
What are the key properties of 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol?
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol is sourced from PubChem (CID 115094395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).