(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene

C13H22O — CID 125455009

IUPAC(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene
SMILESCC[C@@H]1CCC[C@]2(CCC=CCO2)C1
InChIInChI=1S/C13H22O/c1-2-12-7-6-9-13(11-12)8-4-3-5-10-14-13/h3,5,12H,2,4,6-11H2,1H3/t12-,13-/m1/s1
InChIKeyXTVXKYYQSMDKIE-CHWSQXEVSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds1

About (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene

(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene (PubChem CID 125455009) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene.

Molecular Properties

Compound Name(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene
PubChem CID125455009
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene
SMILESCC[C@@H]1CCC[C@]2(CCC=CCO2)C1
InChIInChI=1S/C13H22O/c1-2-12-7-6-9-13(11-12)8-4-3-5-10-14-13/h3,5,12H,2,4,6-11H2,1H3/t12-,13-/m1/s1
InChIKeyXTVXKYYQSMDKIE-CHWSQXEVSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
6-ethyl-4-oxaspiro[2.4]heptane
CID 166857382
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
CID 79923331
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 45092419
cycloocta-1,5-diene;ethylcyclopentane;iridium
CID 161218097
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
(1Z)-5-ethylcyclononene
CID 173295229
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene?
The IUPAC name of (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene (CID 125455009) is (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene.
What is the SMILES notation for (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene?
The canonical SMILES for (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene is CC[C@@H]1CCC[C@]2(CCC=CCO2)C1.
What is the InChIKey of (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene?
The InChIKey is XTVXKYYQSMDKIE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H22O/c1-2-12-7-6-9-13(11-12)8-4-3-5-10-14-13/h3,5,12H,2,4,6-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene?
(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene has a molecular weight of 194.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene is sourced from PubChem (CID 125455009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).