2-(1,3-dioxolan-2-ylmethyl)prop-2-enal

C7H10O3 — CID 91619183

IUPAC2-(1,3-dioxolan-2-ylmethyl)prop-2-enal
SMILESC=C(C=O)CC1OCCO1
InChIInChI=1S/C7H10O3/c1-6(5-8)4-7-9-2-3-10-7/h5,7H,1-4H2
InChIKeyGGCYYXSNHGCWHB-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds3

About 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal

2-(1,3-dioxolan-2-ylmethyl)prop-2-enal (PubChem CID 91619183) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylmethyl)prop-2-enal
PubChem CID91619183
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(1,3-dioxolan-2-ylmethyl)prop-2-enal
SMILESC=C(C=O)CC1OCCO1
InChIInChI=1S/C7H10O3/c1-6(5-8)4-7-9-2-3-10-7/h5,7H,1-4H2
InChIKeyGGCYYXSNHGCWHB-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Butoxy-2,3-dihydrofuran-4-carbaldehyde
CID 91328062
4-(1-Ethoxyethoxy)-2-methylidenebutanal
CID 11401029
3-(1,3-Dioxolan-2-yl)-3-methyl-2-methylidenebutanal
CID 91619185

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal?
The IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal (CID 91619183) is 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal?
The canonical SMILES for 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal is C=C(C=O)CC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal?
The InChIKey is GGCYYXSNHGCWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-6(5-8)4-7-9-2-3-10-7/h5,7H,1-4H2.
What are the key properties of 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal?
2-(1,3-dioxolan-2-ylmethyl)prop-2-enal has a molecular weight of 142.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylmethyl)prop-2-enal is sourced from PubChem (CID 91619183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).