4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal

C10H16O3 — CID 89249961

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal
SMILESC=C(CCC=O)C1COC(C)(C)O1
InChIInChI=1S/C10H16O3/c1-8(5-4-6-11)9-7-12-10(2,3)13-9/h6,9H,1,4-5,7H2,2-3H3
InChIKeyDBMHKJYAAJRSEN-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal

4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal (PubChem CID 89249961) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal
PubChem CID89249961
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal
SMILESC=C(CCC=O)C1COC(C)(C)O1
InChIInChI=1S/C10H16O3/c1-8(5-4-6-11)9-7-12-10(2,3)13-9/h6,9H,1,4-5,7H2,2-3H3
InChIKeyDBMHKJYAAJRSEN-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 17748150
3-[(4S,5R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolan-4-yl]propanal
CID 89274362
5-[2,2-Dimethyl-5-(1-oxoprop-1-en-2-yl)-1,3-dioxolan-4-yl]pentanal
CID 140333754
5-(2-Methyl-1,3-dioxolan-2-yl)hex-5-enal
CID 10583627
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11263891
3-(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanal
CID 21061822

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal (CID 89249961) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal is C=C(CCC=O)C1COC(C)(C)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal?
The InChIKey is DBMHKJYAAJRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(5-4-6-11)9-7-12-10(2,3)13-9/h6,9H,1,4-5,7H2,2-3H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enal is sourced from PubChem (CID 89249961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).