(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane

C13H22O2 — CID 11052920

IUPAC(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
SMILESC=C[C@@H]1CC2(COC(C)(C)OC2)C[C@H]1C
InChIInChI=1S/C13H22O2/c1-5-11-7-13(6-10(11)2)8-14-12(3,4)15-9-13/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m1/s1
InChIKeyJYGQLMVOFCQUQY-GHMZBOCLSA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds1

About (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane

(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane (PubChem CID 11052920) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
PubChem CID11052920
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
SMILESC=C[C@@H]1CC2(COC(C)(C)OC2)C[C@H]1C
InChIInChI=1S/C13H22O2/c1-5-11-7-13(6-10(11)2)8-14-12(3,4)15-9-13/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m1/s1
InChIKeyJYGQLMVOFCQUQY-GHMZBOCLSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

2,8,8-Trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
CID 11816428
(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134857329
2,2-Dimethylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895169
2-[2,4-Bis(ethenyl)cyclopentyl]-2-methyl-1,3-dioxane
CID 68010748
3-Ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 89284204
(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
CID 11299011
2,2-Dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane
CID 11345713
2,2-Dimethyl-5-(2-methylidenecyclopentyl)-5-prop-2-enyl-1,3-dioxane
CID 11791203
(2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane
CID 101031957
(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane
CID 101234482
(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane
CID 101234485
(2R,3R)-2,8,8-trimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane
CID 102356663

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane?
The IUPAC name of (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane (CID 11052920) is (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane.
What is the SMILES notation for (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane?
The canonical SMILES for (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane is C=C[C@@H]1CC2(COC(C)(C)OC2)C[C@H]1C.
What is the InChIKey of (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane?
The InChIKey is JYGQLMVOFCQUQY-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-11-7-13(6-10(11)2)8-14-12(3,4)15-9-13/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m1/s1.
What are the key properties of (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane?
(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane has a molecular weight of 210.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane is sourced from PubChem (CID 11052920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).