(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane

C10H16O2 — CID 134968336

IUPAC(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane
SMILESC=C[C@H]1CCC[C@@]2(CCCO2)O1
InChIInChI=1S/C10H16O2/c1-2-9-5-3-6-10(12-9)7-4-8-11-10/h2,9H,1,3-8H2/t9-,10-/m0/s1
InChIKeyTVZZBBYWCWLGSB-UWVGGRQHSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds1

About (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane

(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane (PubChem CID 134968336) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane
PubChem CID134968336
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane
SMILESC=C[C@H]1CCC[C@@]2(CCCO2)O1
InChIInChI=1S/C10H16O2/c1-2-9-5-3-6-10(12-9)7-4-8-11-10/h2,9H,1,3-8H2/t9-,10-/m0/s1
InChIKeyTVZZBBYWCWLGSB-UWVGGRQHSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
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

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
2-Vinyl-1,6-dioxaspiro[4.4]nonane
CID 13885881
(1R,5S,7S)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 101668541
2,7-Divinyl-1,6-dioxaspiro[4.4]nonane
CID 129879068
2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane
CID 134968331
(8R,10R)-10-ethenyl-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134968346
(2R,5R)-2-ethenyl-1,10-dioxaspiro[4.5]decane
CID 134968390
(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
CID 134986577
(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 135023786
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane?
The IUPAC name of (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane (CID 134968336) is (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane is C=C[C@H]1CCC[C@@]2(CCCO2)O1.
What is the InChIKey of (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane?
The InChIKey is TVZZBBYWCWLGSB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-9-5-3-6-10(12-9)7-4-8-11-10/h2,9H,1,3-8H2/t9-,10-/m0/s1.
What are the key properties of (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane?
(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane has a molecular weight of 168.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 134968336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).