(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene

C11H18O — CID 16726222

IUPAC(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene
SMILESC[C@H]1CCC[C@@]2(C=CCCC2)O1
InChIInChI=1S/C11H18O/c1-10-6-5-9-11(12-10)7-3-2-4-8-11/h3,7,10H,2,4-6,8-9H2,1H3/t10-,11-/m0/s1
InChIKeyXJPAUCBSECDRHH-QWRGUYRKSA-N
MW166.26 g/mol
LogP3.05
Rot. Bonds

About (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene

(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene (PubChem CID 16726222) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene
PubChem CID16726222
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene
SMILESC[C@H]1CCC[C@@]2(C=CCCC2)O1
InChIInChI=1S/C11H18O/c1-10-6-5-9-11(12-10)7-3-2-4-8-11/h3,7,10H,2,4-6,8-9H2,1H3/t10-,11-/m0/s1
InChIKeyXJPAUCBSECDRHH-QWRGUYRKSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.05
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

Theaspirane
CID 61953
Cabreuva oxide D
CID 21603104
(3S,4aS,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
CID 91700484
Dihydroedulan I
CID 91746670
Dihydroedulan II
CID 11030688
Oxidohimachalene
CID 71439330
[1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene
CID 6428308
Cabreuva oxide B
CID 15677814
Cabreuva oxide C
CID 21603100
(1S,3S,4R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-5-ene
CID 15043226
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
(1S,8R)-3,7,11,11-tetramethyl-12-oxatricyclo[6.3.1.01,6]dodeca-2,6-diene
CID 101966999

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene?
The IUPAC name of (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene (CID 16726222) is (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene.
What is the SMILES notation for (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene?
The canonical SMILES for (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene is C[C@H]1CCC[C@@]2(C=CCCC2)O1.
What is the InChIKey of (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene?
The InChIKey is XJPAUCBSECDRHH-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O/c1-10-6-5-9-11(12-10)7-3-2-4-8-11/h3,7,10H,2,4-6,8-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene?
(2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene has a molecular weight of 166.26 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-1-oxaspiro[5.5]undec-10-ene is sourced from PubChem (CID 16726222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).