2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal

C10H16O3 — CID 71414103

IUPAC2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal
SMILESCC(C=O)=CCCC1(C)OCCO1
InChIInChI=1S/C10H16O3/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h4,8H,3,5-7H2,1-2H3
InChIKeyHLNSCECLAIWTQU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal

2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal (PubChem CID 71414103) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal
PubChem CID71414103
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal
SMILESCC(C=O)=CCCC1(C)OCCO1
InChIInChI=1S/C10H16O3/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h4,8H,3,5-7H2,1-2H3
InChIKeyHLNSCECLAIWTQU-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal (CID 71414103) is 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal is CC(C=O)=CCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal?
The InChIKey is HLNSCECLAIWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal?
2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-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 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal is sourced from PubChem (CID 71414103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).