1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol

C7H10O4 — CID 123773680

IUPAC1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol
SMILESC=C1OC1C(O)C1COCO1
InChIInChI=1S/C7H10O4/c1-4-7(11-4)6(8)5-2-9-3-10-5/h5-8H,1-3H2
InChIKeyIVRGOFVNBCSMGH-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.37
Rot. Bonds2

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

1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol (PubChem CID 123773680) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol.

Molecular Properties

Compound Name1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol
PubChem CID123773680
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol
SMILESC=C1OC1C(O)C1COCO1
InChIInChI=1S/C7H10O4/c1-4-7(11-4)6(8)5-2-9-3-10-5/h5-8H,1-3H2
InChIKeyIVRGOFVNBCSMGH-UHFFFAOYSA-N
XLogP-0.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol?
The IUPAC name of 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol (CID 123773680) is 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol.
What is the SMILES notation for 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol?
The canonical SMILES for 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol is C=C1OC1C(O)C1COCO1.
What is the InChIKey of 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol?
The InChIKey is IVRGOFVNBCSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-7(11-4)6(8)5-2-9-3-10-5/h5-8H,1-3H2.
What are the key properties of 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol?
1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol has a molecular weight of 158.15 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-yl-(3-methylideneoxiran-2-yl)methanol is sourced from PubChem (CID 123773680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).