(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene

C11H18O2 — CID 10058170

IUPAC(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESC[C@H]1CC=C[C@@]2(CCC[C@H](C)O2)O1
InChIInChI=1S/C11H18O2/c1-9-5-3-7-11(12-9)8-4-6-10(2)13-11/h3,7,9-10H,4-6,8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyYYLIKWUEPKLPOE-GARJFASQSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds

About (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene

(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene (PubChem CID 10058170) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
PubChem CID10058170
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESC[C@H]1CC=C[C@@]2(CCC[C@H](C)O2)O1
InChIInChI=1S/C11H18O2/c1-9-5-3-7-11(12-9)8-4-6-10(2)13-11/h3,7,9-10H,4-6,8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyYYLIKWUEPKLPOE-GARJFASQSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
CID 12462321
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
[(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134840284
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
[(5S)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134858589

Frequently Asked Questions

What is the IUPAC name of (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The IUPAC name of (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene (CID 10058170) is (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene.
What is the SMILES notation for (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The canonical SMILES for (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene is C[C@H]1CC=C[C@@]2(CCC[C@H](C)O2)O1.
What is the InChIKey of (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The InChIKey is YYLIKWUEPKLPOE-GARJFASQSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-5-3-7-11(12-9)8-4-6-10(2)13-11/h3,7,9-10H,4-6,8H2,1-2H3/t9-,10-,11+/m0/s1.
What are the key properties of (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene has a molecular weight of 182.26 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 10058170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).