ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate

C14H22O2 — CID 91536775

IUPACethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](C)CC=CC12CCCC2
InChIInChI=1S/C14H22O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h6,10-12H,3-5,7-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyXYYDKLSHDUGMMX-RYUDHWBXSA-N
MW222.33 g/mol
LogP3.32
Rot. Bonds2

About ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate

ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate (PubChem CID 91536775) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate
PubChem CID91536775
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](C)CC=CC12CCCC2
InChIInChI=1S/C14H22O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h6,10-12H,3-5,7-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyXYYDKLSHDUGMMX-RYUDHWBXSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate?
The IUPAC name of ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate (CID 91536775) is ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate.
What is the SMILES notation for ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate?
The canonical SMILES for ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate is CCOC(=O)[C@@H]1[C@@H](C)CC=CC12CCCC2.
What is the InChIKey of ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate?
The InChIKey is XYYDKLSHDUGMMX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h6,10-12H,3-5,7-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate?
ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate is sourced from PubChem (CID 91536775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).