ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate

C14H22O3 — CID 168932647

IUPACethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1COC2(CCCCC2)C1
InChIInChI=1S/C14H22O3/c1-2-16-13(15)7-6-12-10-14(17-11-12)8-4-3-5-9-14/h6-7,12H,2-5,8-11H2,1H3/b7-6+
InChIKeyZEVXLUKGHMNHNR-VOTSOKGWSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds3

About ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate

ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate (PubChem CID 168932647) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
PubChem CID168932647
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1COC2(CCCCC2)C1
InChIInChI=1S/C14H22O3/c1-2-16-13(15)7-6-12-10-14(17-11-12)8-4-3-5-9-14/h6-7,12H,2-5,8-11H2,1H3/b7-6+
InChIKeyZEVXLUKGHMNHNR-VOTSOKGWSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
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 3-cyclobutylprop-2-enoate
CID 54090850
ethyl (E)-3-(2-oxaspiro[5.5]undecan-3-yl)prop-2-enoate
CID 102285324
ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916277
ethyl (E)-3-(2,2,6,6-tetramethylcyclohexyl)prop-2-enoate
CID 140559738
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 118364434
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
CID 102285322
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylic acid
CID 70246318
ethyl 3-[(6S)-2,2,6-trimethylcyclohexyl]prop-2-enoate
CID 54446922
ethyl (E)-3-[(2S)-2-hydroxycyclopentyl]prop-2-enoate
CID 132522889

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate (CID 168932647) is ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate is CCOC(=O)/C=C/C1COC2(CCCCC2)C1.
What is the InChIKey of ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate?
The InChIKey is ZEVXLUKGHMNHNR-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-16-13(15)7-6-12-10-14(17-11-12)8-4-3-5-9-14/h6-7,12H,2-5,8-11H2,1H3/b7-6+.
What are the key properties of ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate?
ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate has a molecular weight of 238.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(1-oxaspiro[4.5]decan-3-yl)prop-2-enoate is sourced from PubChem (CID 168932647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).