ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate

C15H24O3 — CID 102285324

IUPACethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1CCC2(CCCCC2)CO1
InChIInChI=1S/C15H24O3/c1-2-17-14(16)7-6-13-8-11-15(12-18-13)9-4-3-5-10-15/h6-7,13H,2-5,8-12H2,1H3/b7-6+
InChIKeyCCOQFLPUVKPRPX-VOTSOKGWSA-N
MW252.35 g/mol
LogP3.24
Rot. Bonds3

About ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate

ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate (PubChem CID 102285324) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate
PubChem CID102285324
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1CCC2(CCCCC2)CO1
InChIInChI=1S/C15H24O3/c1-2-17-14(16)7-6-13-8-11-15(12-18-13)9-4-3-5-10-15/h6-7,13H,2-5,8-12H2,1H3/b7-6+
InChIKeyCCOQFLPUVKPRPX-VOTSOKGWSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
CID 102285322
ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
CID 168932647
ethyl (E)-3-(2,2,6,6-tetramethylcyclohexyl)prop-2-enoate
CID 140559738
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
ethyl (E)-3-[(3aR,5R,6S,6aR)-6-hydroxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl]prop-2-enoate
CID 10859486
ethyl (E)-4-(3-azaspiro[5.5]undecan-3-yl)but-2-enoate
CID 80549568
ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate
CID 167732275
ethyl 3-[(6S)-2,2,6-trimethylcyclohexyl]prop-2-enoate
CID 54446922
ethyl (E)-3-[(2S)-2-hydroxycyclopentyl]prop-2-enoate
CID 132522889
ethyl (E)-3-[(4R,5R)-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10913537
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 118364434
ethyl (E)-4-(8-azaspiro[4.5]decan-8-yl)but-2-enoate
CID 80549264

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate (CID 102285324) is ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate is CCOC(=O)/C=C/C1CCC2(CCCCC2)CO1.
What is the InChIKey of ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate?
The InChIKey is CCOQFLPUVKPRPX-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-17-14(16)7-6-13-8-11-15(12-18-13)9-4-3-5-10-15/h6-7,13H,2-5,8-12H2,1H3/b7-6+.
What are the key properties of ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate?
ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate is sourced from PubChem (CID 102285324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).