(2-methyl-1,3-dioxolan-4-ylidene)methanol

C5H8O3 — CID 70367413

IUPAC(2-methyl-1,3-dioxolan-4-ylidene)methanol
SMILESCC1OCC(=CO)O1
InChIInChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4,6H,3H2,1H3
InChIKeyNNVUHHSNHAVLLZ-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.78
Rot. Bonds

About (2-methyl-1,3-dioxolan-4-ylidene)methanol

(2-methyl-1,3-dioxolan-4-ylidene)methanol (PubChem CID 70367413) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-4-ylidene)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-4-ylidene)methanol
PubChem CID70367413
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2-methyl-1,3-dioxolan-4-ylidene)methanol
SMILESCC1OCC(=CO)O1
InChIInChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4,6H,3H2,1H3
InChIKeyNNVUHHSNHAVLLZ-UHFFFAOYSA-N
XLogP0.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-4-ylidene)methanol?
The IUPAC name of (2-methyl-1,3-dioxolan-4-ylidene)methanol (CID 70367413) is (2-methyl-1,3-dioxolan-4-ylidene)methanol.
What is the SMILES notation for (2-methyl-1,3-dioxolan-4-ylidene)methanol?
The canonical SMILES for (2-methyl-1,3-dioxolan-4-ylidene)methanol is CC1OCC(=CO)O1.
What is the InChIKey of (2-methyl-1,3-dioxolan-4-ylidene)methanol?
The InChIKey is NNVUHHSNHAVLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4,6H,3H2,1H3.
What are the key properties of (2-methyl-1,3-dioxolan-4-ylidene)methanol?
(2-methyl-1,3-dioxolan-4-ylidene)methanol has a molecular weight of 116.12 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-4-ylidene)methanol is sourced from PubChem (CID 70367413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).