(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal

C10H16O3 — CID 143024890

IUPAC(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal
SMILESCC1(C)OCC(CC/C=C/C=O)O1
InChIInChI=1S/C10H16O3/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3,5,7,9H,4,6,8H2,1-2H3/b5-3+
InChIKeyXIDIBVFXDSNABT-HWKANZROSA-N
MW184.24 g/mol
LogP1.67
Rot. Bonds4

About (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal

(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal (PubChem CID 143024890) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal.

Molecular Properties

Compound Name(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal
PubChem CID143024890
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal
SMILESCC1(C)OCC(CC/C=C/C=O)O1
InChIInChI=1S/C10H16O3/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3,5,7,9H,4,6,8H2,1-2H3/b5-3+
InChIKeyXIDIBVFXDSNABT-HWKANZROSA-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 ≤ 500184.24
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'}

Analyze (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal
CID 53362385
(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-3-en-2-one
CID 101504446
(E)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]hex-3-en-2-one
CID 101549963
(2e,5s)-5-[(2r)-1,4-Dioxaspiro[4.5]dec-2-yl]-5(methoxymethoxy)pent-2-enal
CID 139210702
(2E)-4-(2-methyl-1,3-dioxolan-2-yl)-2-butenal
CID 10351910
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal
CID 10943137
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 11355724
(2Z)-6-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)propylidene]hept-5-enal
CID 23466446
(R,Z)-4-(hex-3-enyl)-2,2-dimethyl-1,3-dioxolane
CID 58906736
(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-2-one
CID 59885963
4-Hex-3-enyl-2,2-dimethyl-1,3-dioxolane
CID 69063140
(4R)-4-hex-3-enyl-2,2-dimethyl-1,3-dioxolane
CID 69063141

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal?
The IUPAC name of (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal (CID 143024890) is (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal.
What is the SMILES notation for (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal?
The canonical SMILES for (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal is CC1(C)OCC(CC/C=C/C=O)O1.
What is the InChIKey of (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal?
The InChIKey is XIDIBVFXDSNABT-HWKANZROSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3,5,7,9H,4,6,8H2,1-2H3/b5-3+.
What are the key properties of (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal?
(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal has a molecular weight of 184.24 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 (E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal is sourced from PubChem (CID 143024890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).