(4-prop-2-enyl-1,3-dioxolan-4-yl)methanol

C7H12O3 — CID 70533157

IUPAC(4-prop-2-enyl-1,3-dioxolan-4-yl)methanol
SMILESC=CCC1(CO)COCO1
InChIInChI=1S/C7H12O3/c1-2-3-7(4-8)5-9-6-10-7/h2,8H,1,3-6H2
InChIKeyWLOWYQWPUOYUPX-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.30
Rot. Bonds3

About (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol

(4-prop-2-enyl-1,3-dioxolan-4-yl)methanol (PubChem CID 70533157) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(4-prop-2-enyl-1,3-dioxolan-4-yl)methanol
PubChem CID70533157
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4-prop-2-enyl-1,3-dioxolan-4-yl)methanol
SMILESC=CCC1(CO)COCO1
InChIInChI=1S/C7H12O3/c1-2-3-7(4-8)5-9-6-10-7/h2,8H,1,3-6H2
InChIKeyWLOWYQWPUOYUPX-UHFFFAOYSA-N
XLogP0.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol (CID 70533157) is (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol is C=CCC1(CO)COCO1.
What is the InChIKey of (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is WLOWYQWPUOYUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-7(4-8)5-9-6-10-7/h2,8H,1,3-6H2.
What are the key properties of (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol?
(4-prop-2-enyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 144.17 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 70533157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).