(5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene

C13H22O — CID 135019096

IUPAC(5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene
SMILESCCC1=CCC[C@]12CCCC[C@H]2OC
InChIInChI=1S/C13H22O/c1-3-11-7-6-10-13(11)9-5-4-8-12(13)14-2/h7,12H,3-6,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyJBMKHPVWOXVZKE-CHWSQXEVSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds2

About (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene

(5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene (PubChem CID 135019096) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene
PubChem CID135019096
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene
SMILESCCC1=CCC[C@]12CCCC[C@H]2OC
InChIInChI=1S/C13H22O/c1-3-11-7-6-10-13(11)9-5-4-8-12(13)14-2/h7,12H,3-6,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyJBMKHPVWOXVZKE-CHWSQXEVSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene?
The IUPAC name of (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene (CID 135019096) is (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene.
What is the SMILES notation for (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene?
The canonical SMILES for (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene is CCC1=CCC[C@]12CCCC[C@H]2OC.
What is the InChIKey of (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene?
The InChIKey is JBMKHPVWOXVZKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H22O/c1-3-11-7-6-10-13(11)9-5-4-8-12(13)14-2/h7,12H,3-6,8-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene?
(5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene has a molecular weight of 194.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-4-ethyl-10-methoxyspiro[4.5]dec-3-ene is sourced from PubChem (CID 135019096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).