ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate

C14H22O3 — CID 68725948

IUPACethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate
SMILESCCOC(=O)C1=C(C)C(O)CCC12CCCC2
InChIInChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)11(15)6-9-14(12)7-4-5-8-14/h11,15H,3-9H2,1-2H3
InChIKeyDWNGTNXUPBWURJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.58
Rot. Bonds2

About ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate

ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate (PubChem CID 68725948) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate
PubChem CID68725948
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate
SMILESCCOC(=O)C1=C(C)C(O)CCC12CCCC2
InChIInChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)11(15)6-9-14(12)7-4-5-8-14/h11,15H,3-9H2,1-2H3
InChIKeyDWNGTNXUPBWURJ-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate?
The IUPAC name of ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate (CID 68725948) is ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate is CCOC(=O)C1=C(C)C(O)CCC12CCCC2.
What is the InChIKey of ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate?
The InChIKey is DWNGTNXUPBWURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)11(15)6-9-14(12)7-4-5-8-14/h11,15H,3-9H2,1-2H3.
What are the key properties of ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate?
ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxy-9-methylspiro[4.5]dec-9-ene-10-carboxylate is sourced from PubChem (CID 68725948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).