2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde

C9H14O3 — CID 101338935

IUPAC2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde
SMILESCOC/C=C1\COCC1CC=O
InChIInChI=1S/C9H14O3/c1-11-5-3-9-7-12-6-8(9)2-4-10/h3-4,8H,2,5-7H2,1H3/b9-3+
InChIKeyYXVPTCXCSGLLSC-YCRREMRBSA-N
MW170.21 g/mol
LogP0.79
Rot. Bonds4

About 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde

2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde (PubChem CID 101338935) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde
PubChem CID101338935
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde
SMILESCOC/C=C1\COCC1CC=O
InChIInChI=1S/C9H14O3/c1-11-5-3-9-7-12-6-8(9)2-4-10/h3-4,8H,2,5-7H2,1H3/b9-3+
InChIKeyYXVPTCXCSGLLSC-YCRREMRBSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.79
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'}

Analyze 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde 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

(4R)-3-Ethylidene-4-(2-oxoethyl)tetrahydrofuran-2-one
CID 10080588
(E)-2-methyl-4-[(3R)-4-methylidene-5-oxooxolan-3-yl]but-2-enal
CID 56649934
(E)-4-[(3R,4Z)-4-ethylidene-5-oxooxolan-3-yl]but-2-enal
CID 133633108
2-(4-Methoxy-3-methylbut-2-enyl)oxolane-3-carbaldehyde
CID 88787695
2-(3,6-dihydro-2H-pyran-4-yl)propanal
CID 91285053
2-[(3S,4E)-4-ethylidene-5-oxooxolan-3-yl]acetaldehyde
CID 10397025
1-[(2R,3S,4Z)-4-ethylidene-2-methyloxolan-3-yl]propan-2-one
CID 11229017
2-[(2S,3R,4Z)-4-ethylidene-2-methyl-5-oxooxolan-3-yl]acetaldehyde
CID 12187702
2-(4-Methylideneoxolan-3-yl)acetaldehyde
CID 13113529
1-[(2R,3S,4Z)-4-(2-methoxyethylidene)-2-methyloxolan-3-yl]propan-2-one
CID 101757982
1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one
CID 102092377
2-[(3S,4Z)-4-ethylidene-5-oxooxolan-3-yl]acetaldehyde
CID 102379210

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde (CID 101338935) is 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde is COC/C=C1\COCC1CC=O.
What is the InChIKey of 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde?
The InChIKey is YXVPTCXCSGLLSC-YCRREMRBSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-5-3-9-7-12-6-8(9)2-4-10/h3-4,8H,2,5-7H2,1H3/b9-3+.
What are the key properties of 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde?
2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde has a molecular weight of 170.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 101338935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).