ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate

C15H24O4 — CID 10423166

IUPACethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/CCC1CCCCC12OCCO2
InChIInChI=1S/C15H24O4/c1-2-17-14(16)9-4-3-7-13-8-5-6-10-15(13)18-11-12-19-15/h4,9,13H,2-3,5-8,10-12H2,1H3/b9-4+
InChIKeyFMPJMZQCBLZFCI-RUDMXATFSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds5

About ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate

ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate (PubChem CID 10423166) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
PubChem CID10423166
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/CCC1CCCCC12OCCO2
InChIInChI=1S/C15H24O4/c1-2-17-14(16)9-4-3-7-13-8-5-6-10-15(13)18-11-12-19-15/h4,9,13H,2-3,5-8,10-12H2,1H3/b9-4+
InChIKeyFMPJMZQCBLZFCI-RUDMXATFSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate 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

2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
ethyl (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-enoate
CID 14505112
ethyl (E)-4-cyclopentyloxybut-2-enoate
CID 80545801
ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
CID 168932647
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
ethyl 4-(oxan-4-yl)but-2-enoate
CID 68938273
ethyl (E)-4-(cyclopentylmethoxy)but-2-enoate
CID 80545807
ethyl (E)-6-(1,3-dithian-2-yl)hex-2-enoate
CID 14908349
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate?
The IUPAC name of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate (CID 10423166) is ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate?
The canonical SMILES for ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate is CCOC(=O)/C=C/CCC1CCCCC12OCCO2.
What is the InChIKey of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate?
The InChIKey is FMPJMZQCBLZFCI-RUDMXATFSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-17-14(16)9-4-3-7-13-8-5-6-10-15(13)18-11-12-19-15/h4,9,13H,2-3,5-8,10-12H2,1H3/b9-4+.
What are the key properties of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate?
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate is sourced from PubChem (CID 10423166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).