(2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane

C15H22O2 — CID 100987383

IUPAC(2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane
SMILESC=C[C@@]1(C)CC[C@]2(O[C@@H](C=C(C)C)CC2=C)O1
InChIInChI=1S/C15H22O2/c1-6-14(5)7-8-15(17-14)12(4)10-13(16-15)9-11(2)3/h6,9,13H,1,4,7-8,10H2,2-3,5H3/t13-,14-,15-/m0/s1
InChIKeyWKVFNUBTMXSGNM-KKUMJFAQSA-N
MW234.34 g/mol
LogP3.75
Rot. Bonds2

About (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane

(2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane (PubChem CID 100987383) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane
PubChem CID100987383
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane
SMILESC=C[C@@]1(C)CC[C@]2(O[C@@H](C=C(C)C)CC2=C)O1
InChIInChI=1S/C15H22O2/c1-6-14(5)7-8-15(17-14)12(4)10-13(16-15)9-11(2)3/h6,9,13H,1,4,7-8,10H2,2-3,5H3/t13-,14-,15-/m0/s1
InChIKeyWKVFNUBTMXSGNM-KKUMJFAQSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.75
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 (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane (CID 100987383) is (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane is C=C[C@@]1(C)CC[C@]2(O[C@@H](C=C(C)C)CC2=C)O1.
What is the InChIKey of (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane?
The InChIKey is WKVFNUBTMXSGNM-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-14(5)7-8-15(17-14)12(4)10-13(16-15)9-11(2)3/h6,9,13H,1,4,7-8,10H2,2-3,5H3/t13-,14-,15-/m0/s1.
What are the key properties of (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane?
(2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane has a molecular weight of 234.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,7R)-2-ethenyl-2-methyl-9-methylidene-7-(2-methylprop-1-enyl)-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 100987383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).