ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate

C15H24O4 — CID 176671725

IUPACethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate
SMILESCCOC(=O)C1(C)CC2(CC=C1CC)OCCCO2
InChIInChI=1S/C15H24O4/c1-4-12-7-8-15(18-9-6-10-19-15)11-14(12,3)13(16)17-5-2/h7H,4-6,8-11H2,1-3H3
InChIKeyRUMJQRSRNQMVQT-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds3

About ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate

ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate (PubChem CID 176671725) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate
PubChem CID176671725
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate
SMILESCCOC(=O)C1(C)CC2(CC=C1CC)OCCCO2
InChIInChI=1S/C15H24O4/c1-4-12-7-8-15(18-9-6-10-19-15)11-14(12,3)13(16)17-5-2/h7H,4-6,8-11H2,1-3H3
InChIKeyRUMJQRSRNQMVQT-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
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

Methyl 2-(3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl)acetate
CID 927451
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
3,3,9-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
CID 13448190
Tert-butyl 2-(8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)acetate
CID 102287721

Frequently Asked Questions

What is the IUPAC name of ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate?
The IUPAC name of ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate (CID 176671725) is ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate?
The canonical SMILES for ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate is CCOC(=O)C1(C)CC2(CC=C1CC)OCCCO2.
What is the InChIKey of ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate?
The InChIKey is RUMJQRSRNQMVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-12-7-8-15(18-9-6-10-19-15)11-14(12,3)13(16)17-5-2/h7H,4-6,8-11H2,1-3H3.
What are the key properties of ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate?
ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-ethyl-10-methyl-1,5-dioxaspiro[5.5]undec-8-ene-10-carboxylate is sourced from PubChem (CID 176671725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).