1,3-dioxolan-4-ylmethanediol

C4H8O4 — CID 67191483

IUPAC1,3-dioxolan-4-ylmethanediol
SMILESOC(O)C1COCO1
InChIInChI=1S/C4H8O4/c5-4(6)3-1-7-2-8-3/h3-6H,1-2H2
InChIKeyOQIAZODOPDAKJO-UHFFFAOYSA-N
MW120.10 g/mol
LogP-1.33
Rot. Bonds1

About 1,3-dioxolan-4-ylmethanediol

1,3-dioxolan-4-ylmethanediol (PubChem CID 67191483) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 1,3-dioxolan-4-ylmethanediol.

Molecular Properties

Compound Name1,3-dioxolan-4-ylmethanediol
PubChem CID67191483
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name1,3-dioxolan-4-ylmethanediol
SMILESOC(O)C1COCO1
InChIInChI=1S/C4H8O4/c5-4(6)3-1-7-2-8-3/h3-6H,1-2H2
InChIKeyOQIAZODOPDAKJO-UHFFFAOYSA-N
XLogP-1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol
CID 123773680
ethane;4-propan-2-yl-1,3-dioxolane
CID 142062822
1-(1,3-dioxolan-4-yl)-1-methoxypropan-2-ol
CID 118364923
(1S,2R)-1-[(2S)-(2,3-13C2)oxiran-2-yl]-2-[(2R)-(2,3-13C2)oxiran-2-yl](1,2-13C2)ethane-1,2-diol
CID 169439479
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
(1R)-1-[(2R)-oxiran-2-yl]-2-[(2S)-oxiran-2-yl]ethane-1,2-diol
CID 170000546
methyl 3-(1,3-dioxolan-4-yl)-2,2-dimethylbutanoate
CID 67182760
bis[(2S)-oxiran-2-yl]methanol
CID 13025415
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
(3S)-3-[(4R)-1,3-dioxolan-4-yl]-2-methyl-3-propoxypropanoic acid
CID 138460753
(1S,2R)-3-methyl-1-[(2S)-oxiran-2-yl]butane-1,2-diol
CID 130928747
2-(1,3-dioxolan-4-yl)heptanimidamide
CID 67748950

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-ylmethanediol?
The IUPAC name of 1,3-dioxolan-4-ylmethanediol (CID 67191483) is 1,3-dioxolan-4-ylmethanediol.
What is the SMILES notation for 1,3-dioxolan-4-ylmethanediol?
The canonical SMILES for 1,3-dioxolan-4-ylmethanediol is OC(O)C1COCO1.
What is the InChIKey of 1,3-dioxolan-4-ylmethanediol?
The InChIKey is OQIAZODOPDAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c5-4(6)3-1-7-2-8-3/h3-6H,1-2H2.
What are the key properties of 1,3-dioxolan-4-ylmethanediol?
1,3-dioxolan-4-ylmethanediol has a molecular weight of 120.10 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-ylmethanediol is sourced from PubChem (CID 67191483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).