1,3-dioxol-4-ylmethanol;hydrate

C4H8O4 — CID 141124679

IUPAC1,3-dioxol-4-ylmethanol;hydrate
SMILESO.OCC1=COCO1
InChIInChI=1S/C4H6O3.H2O/c5-1-4-2-6-3-7-4;/h2,5H,1,3H2;1H2
InChIKeySNQMUSWEVPHPOF-UHFFFAOYSA-N
MW120.10 g/mol
LogP-1.00
Rot. Bonds1

About 1,3-dioxol-4-ylmethanol;hydrate

1,3-dioxol-4-ylmethanol;hydrate (PubChem CID 141124679) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 1,3-dioxol-4-ylmethanol;hydrate.

Molecular Properties

Compound Name1,3-dioxol-4-ylmethanol;hydrate
PubChem CID141124679
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name1,3-dioxol-4-ylmethanol;hydrate
SMILESO.OCC1=COCO1
InChIInChI=1S/C4H6O3.H2O/c5-1-4-2-6-3-7-4;/h2,5H,1,3H2;1H2
InChIKeySNQMUSWEVPHPOF-UHFFFAOYSA-N
XLogP-1.00
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dioxol-5-ylmethanol
CID 17868908
2-(Methoxymethoxy)prop-2-en-1-ol
CID 10678218
4-(Hydroxymethyl)-1,3-dioxol-2-one
CID 19373541
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
1-(1,3-Dioxol-4-yl)ethane-1,2-diol
CID 57270061
(Z)-2-(methoxymethoxy)but-2-ene-1,3-diol
CID 88203270
(5-Methyl-1,3-dioxol-4-yl)methanol
CID 123637667
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
[5-(Hydroxymethyl)-1,3-dioxol-4-yl]methanol
CID 140981335
4-(Hydroxymethyl)-1,3-dioxole-2-thione
CID 141032433
(2-Methyl-1,3-dioxol-4-yl)methanol
CID 141070112

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-4-ylmethanol;hydrate?
The IUPAC name of 1,3-dioxol-4-ylmethanol;hydrate (CID 141124679) is 1,3-dioxol-4-ylmethanol;hydrate.
What is the SMILES notation for 1,3-dioxol-4-ylmethanol;hydrate?
The canonical SMILES for 1,3-dioxol-4-ylmethanol;hydrate is O.OCC1=COCO1.
What is the InChIKey of 1,3-dioxol-4-ylmethanol;hydrate?
The InChIKey is SNQMUSWEVPHPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.H2O/c5-1-4-2-6-3-7-4;/h2,5H,1,3H2;1H2.
What are the key properties of 1,3-dioxol-4-ylmethanol;hydrate?
1,3-dioxol-4-ylmethanol;hydrate has a molecular weight of 120.10 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-4-ylmethanol;hydrate is sourced from PubChem (CID 141124679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).