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

C14H22O3 — CID 131732744

IUPACethyl (7R,10R)-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+/m0/s1
InChIKeyYOQYEYQRLBIAMC-NWDGAFQWSA-N
MW238.33 g/mol
LogP2.44
Rot. Bonds2

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

ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 131732744) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID131732744
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl (7R,10R)-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+/m0/s1
InChIKeyYOQYEYQRLBIAMC-NWDGAFQWSA-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

ethyl 5-acetyloxy-7-methylspiro[2.5]oct-6-ene-8-carboxylate
CID 168897177
ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate
CID 105360328
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl (1R,8R,8aR)-8-hydroxy-2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11022245
ethyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
CID 101159544
ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 67339971
ethyl (1S,4R,5R)-4-benzyl-5-hydroxy-2,5-dimethylcyclopent-2-ene-1-carboxylate
CID 134964266
ethyl 2-azaspiro[4.4]nonane-3-carboxylate
CID 22154621
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl (2S)-1-oxaspiro[2.5]octane-2-carboxylate
CID 908432
ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
CID 4913249

Frequently Asked Questions

What is the IUPAC name of ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 131732744) is ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl (7R,10R)-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 (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is YOQYEYQRLBIAMC-NWDGAFQWSA-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+/m0/s1.
What are the key properties of ethyl (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
ethyl (7R,10R)-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 (7R,10R)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 131732744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).