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

C14H22O3 — CID 91171038

IUPACethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1C(C)=C[C@@H](O)CC12CCCC2
InChIInChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h8,11-12,15H,3-7,9H2,1-2H3/t11-,12+/m1/s1
InChIKeyYOQYEYQRLBIAMC-NEPJUHHUSA-N
MW238.33 g/mol
LogP2.44
Rot. Bonds2

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

ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 91171038) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID91171038
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1C(C)=C[C@@H](O)CC12CCCC2
InChIInChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h8,11-12,15H,3-7,9H2,1-2H3/t11-,12+/m1/s1
InChIKeyYOQYEYQRLBIAMC-NEPJUHHUSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Colletoic acid
CID 24854349
(4S,8R,9R)-4-hydroxy-5-methylidene-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-1(12)-en-11-one
CID 71717615
(1S,4S,5S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 137647393
(1S,4S,5S,9S)-1-cyclohexyl-9-hydroxy-8-methylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 155521284
(1S,4S,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
CID 71717614
Cespitularin O
CID 16083141
Adametacorenol A
CID 122178657
Oblongolide J
CID 11593874
Versicolactone B
CID 6438997
Madolin U
CID 10848166
methyl (1S,4S,5S,9S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylate
CID 24854350
ethyl (1S,4S,5S,7S,8R)-7-acetyloxy-8-hydroxy-1-propan-2-ylspiro[4.5]dec-9-ene-4-carboxylate
CID 127026800

Frequently Asked Questions

What is the IUPAC name of ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 91171038) is ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is CCOC(=O)[C@@H]1C(C)=C[C@@H](O)CC12CCCC2.
What is the InChIKey of ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is YOQYEYQRLBIAMC-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h8,11-12,15H,3-7,9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 91171038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).