(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one

C16H24O2 — CID 134905091

IUPAC(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one
SMILESCCOC1=CC(=O)[C@@]2(CCC(=C(C)C)C2)[C@H](C)C1
InChIInChI=1S/C16H24O2/c1-5-18-14-8-12(4)16(15(17)9-14)7-6-13(10-16)11(2)3/h9,12H,5-8,10H2,1-4H3/t12-,16-/m1/s1
InChIKeyDVBLQAKIZMOSTN-MLGOLLRUSA-N
MW248.37 g/mol
LogP4.02
Rot. Bonds2

About (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one

(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one (PubChem CID 134905091) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one
PubChem CID134905091
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one
SMILESCCOC1=CC(=O)[C@@]2(CCC(=C(C)C)C2)[C@H](C)C1
InChIInChI=1S/C16H24O2/c1-5-18-14-8-12(4)16(15(17)9-14)7-6-13(10-16)11(2)3/h9,12H,5-8,10H2,1-4H3/t12-,16-/m1/s1
InChIKeyDVBLQAKIZMOSTN-MLGOLLRUSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one with MolForge

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Related Compounds

Phomophyllin A
CID 139589997
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CID 127041223
4,7,7,8b-Tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
CID 162815681
4-Methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 2750836
4-Methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 86252818
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Isopropylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 23451695
Ethyl 7-methyl-9-oxospiro[4.5]dec-7-ene-6-carboxylate
CID 68724534
7a-(2-Methoxy-ethyl)-1-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one
CID 14467503
(6S)-6-(2-chloroprop-2-enyl)-5,5-dimethyl-6-(3-methylbut-3-enyl)-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 24776851
(6S)-10-chloro-5,5,9-trimethyl-3-(2-methylpropoxy)spiro[5.5]undeca-2,9-dien-1-one
CID 24776852

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one?
The IUPAC name of (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one (CID 134905091) is (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one.
What is the SMILES notation for (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one?
The canonical SMILES for (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one is CCOC1=CC(=O)[C@@]2(CCC(=C(C)C)C2)[C@H](C)C1.
What is the InChIKey of (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one?
The InChIKey is DVBLQAKIZMOSTN-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-18-14-8-12(4)16(15(17)9-14)7-6-13(10-16)11(2)3/h9,12H,5-8,10H2,1-4H3/t12-,16-/m1/s1.
What are the key properties of (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one?
(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one has a molecular weight of 248.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 134905091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).