(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane

C14H24O2 — CID 101234482

IUPAC(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane
SMILESC=C[C@]1(C)CC2(C[C@@H]1C)OCC(C)(C)CO2
InChIInChI=1S/C14H24O2/c1-6-13(5)8-14(7-11(13)2)15-9-12(3,4)10-16-14/h6,11H,1,7-10H2,2-5H3/t11-,13+/m0/s1
InChIKeyZJABUFRVKYGJTE-WCQYABFASA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

About (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane

(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane (PubChem CID 101234482) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane
PubChem CID101234482
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane
SMILESC=C[C@]1(C)CC2(C[C@@H]1C)OCC(C)(C)CO2
InChIInChI=1S/C14H24O2/c1-6-13(5)8-14(7-11(13)2)15-9-12(3,4)10-16-14/h6,11H,1,7-10H2,2-5H3/t11-,13+/m0/s1
InChIKeyZJABUFRVKYGJTE-WCQYABFASA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
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

(4S,5S,6S)-4-ethyl-2,2,5-trimethyl-6-(2-methylbut-3-en-2-yl)-1,3-dioxane
CID 134866214
3-Ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane
CID 89148660
3-Ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 89284204
(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
CID 11052920
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
(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane
CID 101234485

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane?
The IUPAC name of (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane (CID 101234482) is (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane.
What is the SMILES notation for (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane?
The canonical SMILES for (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane is C=C[C@]1(C)CC2(C[C@@H]1C)OCC(C)(C)CO2.
What is the InChIKey of (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane?
The InChIKey is ZJABUFRVKYGJTE-WCQYABFASA-N. The full InChI is InChI=1S/C14H24O2/c1-6-13(5)8-14(7-11(13)2)15-9-12(3,4)10-16-14/h6,11H,1,7-10H2,2-5H3/t11-,13+/m0/s1.
What are the key properties of (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane?
(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 101234482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).