(2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal

C11H14O3 — CID 144931318

IUPAC(2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
SMILESC=C/C(=C(C=O)\C=C/C)C1OCCO1
InChIInChI=1S/C11H14O3/c1-3-5-9(8-12)10(4-2)11-13-6-7-14-11/h3-5,8,11H,2,6-7H2,1H3/b5-3-,10-9-
InChIKeyFEMQQFLOCPIGAR-AZOIALCZSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds4

About (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal

(2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal (PubChem CID 144931318) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
PubChem CID144931318
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
SMILESC=C/C(=C(C=O)\C=C/C)C1OCCO1
InChIInChI=1S/C11H14O3/c1-3-5-9(8-12)10(4-2)11-13-6-7-14-11/h3-5,8,11H,2,6-7H2,1H3/b5-3-,10-9-
InChIKeyFEMQQFLOCPIGAR-AZOIALCZSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E,6E,8E,10Z)-11-(1,3-dioxolan-2-yl)-2,6-dimethyldodeca-2,4,6,8,10-pentaenoate
CID 87903852
(E)-3-(2-methyl-1,3-dioxolan-2-yl)but-2-enal
CID 14286432
(2E,4E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]penta-2,4-dienal
CID 10535429
6,6-Diethoxy-3-methylhexa-2,4-dienal
CID 53935068
8,8-Diethoxy-3,7-dimethylocta-2,4,6-trienal
CID 54182731
Methyl 11-(1,3-dioxolan-2-yl)-2,6-dimethyldodeca-2,4,6,8,10-pentaenoate
CID 87903853
(2E,4E,6E)-8,8-diethoxy-3,7-dimethylocta-2,4,6-trienal
CID 88794074
(2E,4E)-6,6-diethoxy-3-methylhexa-2,4-dienal
CID 88844707
(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enal
CID 89090403
(7aS)-3a,7a-dihydro-1,3-benzodioxole-5-carbaldehyde
CID 90048315
(E)-2-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-2-enal
CID 129044397
(2E)-4-(1,3-dioxolan-2-yl)-2-ethenylpenta-2,4-dienal;ethane;propane
CID 141829130

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
The IUPAC name of (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal (CID 144931318) is (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal.
What is the SMILES notation for (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
The canonical SMILES for (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal is C=C/C(=C(C=O)\C=C/C)C1OCCO1.
What is the InChIKey of (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
The InChIKey is FEMQQFLOCPIGAR-AZOIALCZSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-5-9(8-12)10(4-2)11-13-6-7-14-11/h3-5,8,11H,2,6-7H2,1H3/b5-3-,10-9-.
What are the key properties of (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
(2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal has a molecular weight of 194.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(1,3-dioxolan-2-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienal is sourced from PubChem (CID 144931318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).