ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate

C14H22O3 — CID 15352877

IUPACethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate
SMILESCCOC(=O)C1CCCC12OC=CCC2(C)C
InChIInChI=1S/C14H22O3/c1-4-16-12(15)11-7-5-9-14(11)13(2,3)8-6-10-17-14/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyNXMMMFZDHJYRGM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.05
Rot. Bonds2

About ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate

ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate (PubChem CID 15352877) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate
PubChem CID15352877
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate
SMILESCCOC(=O)C1CCCC12OC=CCC2(C)C
InChIInChI=1S/C14H22O3/c1-4-16-12(15)11-7-5-9-14(11)13(2,3)8-6-10-17-14/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyNXMMMFZDHJYRGM-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(3-ethoxy-1-methyl-2-propenyl)-2-oxocyclohexanecarboxylate
CID 5466980
methyl (1S,2R,3S)-1-(but-3-en-1-yl)-2-hydroxy-2,3-dimethylcyclopentane-1-carboxylate
CID 129011737
isopropyl (1S,2R,3S)-1-(but-3-en-1-yl)-2-hydroxy-2,3-dimethylcyclopentane-1-carboxylate
CID 129011745
methyl (3aS,6aS)-6a-but-3-enyl-2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 135039870
methyl (3aS,6aR)-6a-ethyl-2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 135040034
ethyl (3aR,5aR,9aS)-4,5,6,7,8,9-hexahydro-3aH-indeno[7a,1-b]furan-5a-carboxylate
CID 162418840
methyl (3aR,6aS,9aS)-4,5,6,7,8,9-hexahydro-3aH-cyclopenta[h][1]benzofuran-6a-carboxylate
CID 162418950
(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one
CID 162418951
diethyl 3-[(E)-2-acetyloxyethenyl]-4-(2-methoxy-2-oxoethyl)cyclopentane-1,1-dicarboxylate
CID 10970688
1,1-Cyclopentanedicarboxylic acid, 2-ethenyl-, diethyl ester
CID 11253462
[(1R,2R)-2-methyl-1-[(1S)-2-methyl-5-oxocyclopentyl]pent-4-enyl] acetate
CID 58013701
Diethyl allyl(cyclopentyl)malonate
CID 67198959

Frequently Asked Questions

What is the IUPAC name of ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate?
The IUPAC name of ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate (CID 15352877) is ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate.
What is the SMILES notation for ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate?
The canonical SMILES for ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate is CCOC(=O)C1CCCC12OC=CCC2(C)C.
What is the InChIKey of ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate?
The InChIKey is NXMMMFZDHJYRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-16-12(15)11-7-5-9-14(11)13(2,3)8-6-10-17-14/h6,10-11H,4-5,7-9H2,1-3H3.
What are the key properties of ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate?
ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10,10-dimethyl-6-oxaspiro[4.5]dec-7-ene-4-carboxylate is sourced from PubChem (CID 15352877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).