(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane

C11H18O2 — CID 134846281

IUPAC(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
SMILESC=C[C@H]1OC2(CCCCC2)O[C@H]1C
InChIInChI=1S/C11H18O2/c1-3-10-9(2)12-11(13-10)7-5-4-6-8-11/h3,9-10H,1,4-8H2,2H3/t9-,10+/m0/s1
InChIKeyUTPQUWIRNVEOFK-VHSXEESVSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds1

About (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane

(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 134846281) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID134846281
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
SMILESC=C[C@H]1OC2(CCCCC2)O[C@H]1C
InChIInChI=1S/C11H18O2/c1-3-10-9(2)12-11(13-10)7-5-4-6-8-11/h3,9-10H,1,4-8H2,2H3/t9-,10+/m0/s1
InChIKeyUTPQUWIRNVEOFK-VHSXEESVSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
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 (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane (CID 134846281) is (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane is C=C[C@H]1OC2(CCCCC2)O[C@H]1C.
What is the InChIKey of (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is UTPQUWIRNVEOFK-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10-9(2)12-11(13-10)7-5-4-6-8-11/h3,9-10H,1,4-8H2,2H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane?
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 134846281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).