ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate

C14H22O4 — CID 170720997

IUPACethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
SMILESCCOC(=O)C1(C)CC2(CC=C1CC)OCCO2
InChIInChI=1S/C14H22O4/c1-4-11-6-7-14(17-8-9-18-14)10-13(11,3)12(15)16-5-2/h6H,4-5,7-10H2,1-3H3
InChIKeyQRICEORNTPVBGN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.43
Rot. Bonds3

About ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate

ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate (PubChem CID 170720997) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
PubChem CID170720997
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
SMILESCCOC(=O)C1(C)CC2(CC=C1CC)OCCO2
InChIInChI=1S/C14H22O4/c1-4-11-6-7-14(17-8-9-18-14)10-13(11,3)12(15)16-5-2/h6H,4-5,7-10H2,1-3H3
InChIKeyQRICEORNTPVBGN-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 170721017
ethyl (7R)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 175983312
(6-Allyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetic acid
CID 381492
Ethyl 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propanoate
CID 135043718
Ethyl 2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetate
CID 11447817
methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11701289
methyl (9'Z)-3'-ethyl-9'-ethylidenespiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 21592646
(7R,8Z)-11-methoxycarbonyl-9-methyl-1,4-dioxaspiro[4.7]dodec-8-ene-7-carboxylic acid
CID 21592656
Methyl 3'-methylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 21632007
Ethyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylpropanoate
CID 22501925
Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetate
CID 66935468
methyl (E)-2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-6-enoate
CID 71028727

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The IUPAC name of ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate (CID 170720997) is ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The canonical SMILES for ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate is CCOC(=O)C1(C)CC2(CC=C1CC)OCCO2.
What is the InChIKey of ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The InChIKey is QRICEORNTPVBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-11-6-7-14(17-8-9-18-14)10-13(11,3)12(15)16-5-2/h6H,4-5,7-10H2,1-3H3.
What are the key properties of ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate is sourced from PubChem (CID 170720997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).