(5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane

C18H28O6 — CID 102332526

IUPAC(5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane
SMILESC=CCO[C@@H]1[C@H](OCC=C)CO[C@]2(COC(C)(C)O2)[C@H]1OCC=C
InChIInChI=1S/C18H28O6/c1-6-9-19-14-12-22-18(13-23-17(4,5)24-18)16(21-11-8-3)15(14)20-10-7-2/h6-8,14-16H,1-3,9-13H2,4-5H3/t14-,15-,16+,18+/m1/s1
InChIKeyGXQHMQBLGPPJPB-CBZIJGRNSA-N
MW340.42 g/mol
LogP2.21
Rot. Bonds9

About (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane

(5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane (PubChem CID 102332526) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane
PubChem CID102332526
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane
SMILESC=CCO[C@@H]1[C@H](OCC=C)CO[C@]2(COC(C)(C)O2)[C@H]1OCC=C
InChIInChI=1S/C18H28O6/c1-6-9-19-14-12-22-18(13-23-17(4,5)24-18)16(21-11-8-3)15(14)20-10-7-2/h6-8,14-16H,1-3,9-13H2,4-5H3/t14-,15-,16+,18+/m1/s1
InChIKeyGXQHMQBLGPPJPB-CBZIJGRNSA-N
XLogP2.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane?
The IUPAC name of (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane (CID 102332526) is (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane.
What is the SMILES notation for (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane?
The canonical SMILES for (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane is C=CCO[C@@H]1[C@H](OCC=C)CO[C@]2(COC(C)(C)O2)[C@H]1OCC=C.
What is the InChIKey of (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane?
The InChIKey is GXQHMQBLGPPJPB-CBZIJGRNSA-N. The full InChI is InChI=1S/C18H28O6/c1-6-9-19-14-12-22-18(13-23-17(4,5)24-18)16(21-11-8-3)15(14)20-10-7-2/h6-8,14-16H,1-3,9-13H2,4-5H3/t14-,15-,16+,18+/m1/s1.
What are the key properties of (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane?
(5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane has a molecular weight of 340.42 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,7R,8R)-2,2-dimethyl-6,7,8-tris(prop-2-enoxy)-1,3,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 102332526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).