ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate

C14H24O5 — CID 134922654

IUPACethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate
SMILESCCOC(=O)/C(=C\O)CCCCOC1CCCCO1
InChIInChI=1S/C14H24O5/c1-2-17-14(16)12(11-15)7-3-5-9-18-13-8-4-6-10-19-13/h11,13,15H,2-10H2,1H3/b12-11-
InChIKeyRZHMQNGEKODQQP-QXMHVHEDSA-N
MW272.34 g/mol
LogP2.70
Rot. Bonds8

About ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate

ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate (PubChem CID 134922654) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate
PubChem CID134922654
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate
SMILESCCOC(=O)/C(=C\O)CCCCOC1CCCCO1
InChIInChI=1S/C14H24O5/c1-2-17-14(16)12(11-15)7-3-5-9-18-13-8-4-6-10-19-13/h11,13,15H,2-10H2,1H3/b12-11-
InChIKeyRZHMQNGEKODQQP-QXMHVHEDSA-N
XLogP2.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate?
The IUPAC name of ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate (CID 134922654) is ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate.
What is the SMILES notation for ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate?
The canonical SMILES for ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate is CCOC(=O)/C(=C\O)CCCCOC1CCCCO1.
What is the InChIKey of ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate?
The InChIKey is RZHMQNGEKODQQP-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H24O5/c1-2-17-14(16)12(11-15)7-3-5-9-18-13-8-4-6-10-19-13/h11,13,15H,2-10H2,1H3/b12-11-.
What are the key properties of ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate?
ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate has a molecular weight of 272.34 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(hydroxymethylidene)-6-(oxan-2-yloxy)hexanoate is sourced from PubChem (CID 134922654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).