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

C12H17FO4 — CID 170721017

IUPACethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
SMILESCCOC(=O)C1(C)CC2(CC=C1F)OCCO2
InChIInChI=1S/C12H17FO4/c1-3-15-10(14)11(2)8-12(5-4-9(11)13)16-6-7-17-12/h4H,3,5-8H2,1-2H3
InChIKeyKHSMJZNUGILILG-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.95
Rot. Bonds2

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

ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate (PubChem CID 170721017) has the molecular formula C12H17FO4 and a molecular weight of 244.26 g/mol. Its IUPAC name is ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
PubChem CID170721017
Molecular FormulaC12H17FO4
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Nameethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
SMILESCCOC(=O)C1(C)CC2(CC=C1F)OCCO2
InChIInChI=1S/C12H17FO4/c1-3-15-10(14)11(2)8-12(5-4-9(11)13)16-6-7-17-12/h4H,3,5-8H2,1-2H3
InChIKeyKHSMJZNUGILILG-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
CID 174161349
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 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
ethyl (3aR,7aS)-2,2-diethyl-4-methyl-7,7a-dihydro-3aH-1,3-benzodioxole-4-carboxylate
CID 143892803
Ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 170720997
Ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 170721054
Ethyl 2-(6-methyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl)acetate
CID 11160798
Ethyl 1-(1,3-dioxolan-2-ylmethyl)cyclohex-2-ene-1-carboxylate
CID 11345470
Methyl 6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 14690077

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The IUPAC name of ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate (CID 170721017) is ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The canonical SMILES for ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate is CCOC(=O)C1(C)CC2(CC=C1F)OCCO2.
What is the InChIKey of ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The InChIKey is KHSMJZNUGILILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4/c1-3-15-10(14)11(2)8-12(5-4-9(11)13)16-6-7-17-12/h4H,3,5-8H2,1-2H3.
What are the key properties of ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate has a molecular weight of 244.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate is sourced from PubChem (CID 170721017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).