2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde

C10H16O4 — CID 10420317

IUPAC2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde
SMILESC=CC1(COCC=O)COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-10(7-12-6-5-11)8-13-9(2,3)14-10/h4-5H,1,6-8H2,2-3H3
InChIKeyMQBQPWIFDPNNRR-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.91
Rot. Bonds5

About 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde

2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde (PubChem CID 10420317) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde.

Molecular Properties

Compound Name2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde
PubChem CID10420317
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde
SMILESC=CC1(COCC=O)COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-10(7-12-6-5-11)8-13-9(2,3)14-10/h4-5H,1,6-8H2,2-3H3
InChIKeyMQBQPWIFDPNNRR-UHFFFAOYSA-N
XLogP0.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde?
The IUPAC name of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde (CID 10420317) is 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde.
What is the SMILES notation for 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde?
The canonical SMILES for 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde is C=CC1(COCC=O)COC(C)(C)O1.
What is the InChIKey of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde?
The InChIKey is MQBQPWIFDPNNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-10(7-12-6-5-11)8-13-9(2,3)14-10/h4-5H,1,6-8H2,2-3H3.
What are the key properties of 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde?
2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde has a molecular weight of 200.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde is sourced from PubChem (CID 10420317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).