(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol

C8H12O2 — CID 135055073

IUPAC(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol
SMILESC/C=C1\COCC1/C=C/O
InChIInChI=1S/C8H12O2/c1-2-7-5-10-6-8(7)3-4-9/h2-4,8-9H,5-6H2,1H3/b4-3+,7-2+
InChIKeyHMKKRNJXUVZWOT-DHLDLQEWSA-N
MW140.18 g/mol
LogP1.65
Rot. Bonds1

About (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol

(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol (PubChem CID 135055073) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol.

Molecular Properties

Compound Name(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol
PubChem CID135055073
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol
SMILESC/C=C1\COCC1/C=C/O
InChIInChI=1S/C8H12O2/c1-2-7-5-10-6-8(7)3-4-9/h2-4,8-9H,5-6H2,1H3/b4-3+,7-2+
InChIKeyHMKKRNJXUVZWOT-DHLDLQEWSA-N
XLogP1.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol?
The IUPAC name of (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol (CID 135055073) is (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol.
What is the SMILES notation for (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol?
The canonical SMILES for (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol is C/C=C1\COCC1/C=C/O.
What is the InChIKey of (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol?
The InChIKey is HMKKRNJXUVZWOT-DHLDLQEWSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-7-5-10-6-8(7)3-4-9/h2-4,8-9H,5-6H2,1H3/b4-3+,7-2+.
What are the key properties of (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol?
(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol has a molecular weight of 140.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol is sourced from PubChem (CID 135055073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).