(7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane

C13H22O2 — CID 14564109

IUPAC(7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESC=C[C@@H]1CC2(CC[C@H]1C(C)C)OCCO2
InChIInChI=1S/C13H22O2/c1-4-11-9-13(14-7-8-15-13)6-5-12(11)10(2)3/h4,10-12H,1,5-9H2,2-3H3/t11-,12+/m1/s1
InChIKeyJDJPLLRCBUZNTK-NEPJUHHUSA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds2

About (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane

(7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 14564109) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID14564109
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESC=C[C@@H]1CC2(CC[C@H]1C(C)C)OCCO2
InChIInChI=1S/C13H22O2/c1-4-11-9-13(14-7-8-15-13)6-5-12(11)10(2)3/h4,10-12H,1,5-9H2,2-3H3/t11-,12+/m1/s1
InChIKeyJDJPLLRCBUZNTK-NEPJUHHUSA-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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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane (CID 14564109) is (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane is C=C[C@@H]1CC2(CC[C@H]1C(C)C)OCCO2.
What is the InChIKey of (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is JDJPLLRCBUZNTK-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-11-9-13(14-7-8-15-13)6-5-12(11)10(2)3/h4,10-12H,1,5-9H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane?
(7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane 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 (7S,8S)-7-ethenyl-8-propan-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 14564109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).