(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene

C13H22O — CID 125453870

IUPAC(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene
SMILESC[C@H]1CCC[C@H](C)C12CCC=CCO2
InChIInChI=1S/C13H22O/c1-11-7-6-8-12(2)13(11)9-4-3-5-10-14-13/h3,5,11-12H,4,6-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyOEZTWJANKCCOGB-RYUDHWBXSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds

About (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene

(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene (PubChem CID 125453870) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene.

Molecular Properties

Compound Name(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene
PubChem CID125453870
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene
SMILESC[C@H]1CCC[C@H](C)C12CCC=CCO2
InChIInChI=1S/C13H22O/c1-11-7-6-8-12(2)13(11)9-4-3-5-10-14-13/h3,5,11-12H,4,6-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyOEZTWJANKCCOGB-RYUDHWBXSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
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

(4aS,6aR,10aR)-4a,5,6,6a,9,10-hexahydro-2H-indeno[7a,1-b]pyran
CID 11171287
(4aR,6aS,10aR)-4a,5,6,6a,9,10-hexahydro-2H-indeno[7a,1-b]pyran
CID 101348707
1,6,8-trioxaspiro[6.6]trideca-3,10-diene
CID 164838316
(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene
CID 125455009
cyclohexene;2-methyloxirane
CID 159091274
2,4-dimethyl-1-oxaspiro[2.5]octane
CID 45120446
(1Z)-6-methylcyclononene
CID 22177377
(1Z)-6,6,9,9-tetramethylcyclododecene
CID 5462910
(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
CID 125453613
7-oxaspiro[5.6]dodec-9-en-5-one
CID 131481474
9-methylcyclopentadecene
CID 154291341
1,2-dimethylspiro[bicyclo[4.1.0]heptane-7,1'-cyclopropane]
CID 163587019

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene?
The IUPAC name of (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene (CID 125453870) is (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene.
What is the SMILES notation for (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene?
The canonical SMILES for (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene is C[C@H]1CCC[C@H](C)C12CCC=CCO2.
What is the InChIKey of (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene?
The InChIKey is OEZTWJANKCCOGB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22O/c1-11-7-6-8-12(2)13(11)9-4-3-5-10-14-13/h3,5,11-12H,4,6-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene?
(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene has a molecular weight of 194.32 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene is sourced from PubChem (CID 125453870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).