(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal

C10H12O2 — CID 142058146

IUPAC(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal
SMILESC=C/C(C=O)=C1/CCO/C1=C/C
InChIInChI=1S/C10H12O2/c1-3-8(7-11)9-5-6-12-10(9)4-2/h3-4,7H,1,5-6H2,2H3/b9-8+,10-4+
InChIKeyFVLHLHIRUDCQHW-FJEDVWLASA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds2

About (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal

(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal (PubChem CID 142058146) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal.

Molecular Properties

Compound Name(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal
PubChem CID142058146
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal
SMILESC=C/C(C=O)=C1/CCO/C1=C/C
InChIInChI=1S/C10H12O2/c1-3-8(7-11)9-5-6-12-10(9)4-2/h3-4,7H,1,5-6H2,2H3/b9-8+,10-4+
InChIKeyFVLHLHIRUDCQHW-FJEDVWLASA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal?
The IUPAC name of (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal (CID 142058146) is (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal.
What is the SMILES notation for (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal?
The canonical SMILES for (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal is C=C/C(C=O)=C1/CCO/C1=C/C.
What is the InChIKey of (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal?
The InChIKey is FVLHLHIRUDCQHW-FJEDVWLASA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8(7-11)9-5-6-12-10(9)4-2/h3-4,7H,1,5-6H2,2H3/b9-8+,10-4+.
What are the key properties of (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal?
(2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal has a molecular weight of 164.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2-ethylideneoxolan-3-ylidene]but-3-enal is sourced from PubChem (CID 142058146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).