(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane

C13H22O2 — CID 10921768

IUPAC(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane
SMILESC=CC(C)(C)[C@@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-6-12(4,5)10-7-13(10)14-8-11(2,3)9-15-13/h6,10H,1,7-9H2,2-5H3/t10-/m0/s1
InChIKeyYZKDRBJMEBEHPZ-JTQLQIEISA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds2

About (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane

(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane (PubChem CID 10921768) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane
PubChem CID10921768
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane
SMILESC=CC(C)(C)[C@@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-6-12(4,5)10-7-13(10)14-8-11(2,3)9-15-13/h6,10H,1,7-9H2,2-5H3/t10-/m0/s1
InChIKeyYZKDRBJMEBEHPZ-JTQLQIEISA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.99
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

2,2-diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979
[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
CID 11405224
2,5,5-trimethyl-2-pent-4-enyl-1,3-dioxane
CID 55275489
5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]
CID 14287443
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
2-methyl-4-(2-methylbut-3-en-2-yl)cyclobutan-1-ol
CID 130145067
5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 13247528
6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 543319
tert-butyl (3R)-4-ethenyl-2,2-dimethyloxolane-3-carboxylate
CID 89313667
(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
CID 101015711
3,5,10,13-tetramethyl-17-(2-methylbut-3-en-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 162753512

Frequently Asked Questions

What is the IUPAC name of (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane (CID 10921768) is (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane is C=CC(C)(C)[C@@H]1CC12OCC(C)(C)CO2.
What is the InChIKey of (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane?
The InChIKey is YZKDRBJMEBEHPZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22O2/c1-6-12(4,5)10-7-13(10)14-8-11(2,3)9-15-13/h6,10H,1,7-9H2,2-5H3/t10-/m0/s1.
What are the key properties of (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane?
(2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane has a molecular weight of 210.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-dimethyl-2-(2-methylbut-3-en-2-yl)-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 10921768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).