ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate

C16H24O4 — CID 91207096

IUPACethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1C(C)=C[C@H](OC(C)=O)CC12CCCC2
InChIInChI=1S/C16H24O4/c1-4-19-15(18)14-11(2)9-13(20-12(3)17)10-16(14)7-5-6-8-16/h9,13-14H,4-8,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyUYRURCQEPUXWDC-KBPBESRZSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds3

About ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate

ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 91207096) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID91207096
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nameethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1C(C)=C[C@H](OC(C)=O)CC12CCCC2
InChIInChI=1S/C16H24O4/c1-4-19-15(18)14-11(2)9-13(20-12(3)17)10-16(14)7-5-6-8-16/h9,13-14H,4-8,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyUYRURCQEPUXWDC-KBPBESRZSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 91207096) is ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is CCOC(=O)[C@@H]1C(C)=C[C@H](OC(C)=O)CC12CCCC2.
What is the InChIKey of ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is UYRURCQEPUXWDC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-19-15(18)14-11(2)9-13(20-12(3)17)10-16(14)7-5-6-8-16/h9,13-14H,4-8,10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 280.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R,10S)-7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 91207096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).