(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

C15H22O6 — CID 11500364

IUPAC(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
SMILESC=C=CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2
InChIInChI=1S/C15H22O6/c1-6-7-16-12-11-10(19-14(4,5)20-11)8-17-15(12)9-18-13(2,3)21-15/h7,10-12H,1,8-9H2,2-5H3/t10-,11-,12+,15+/m1/s1
InChIKeyYAEAIEJWTVNELN-FJJYHAOUSA-N
MW298.34 g/mol
LogP1.70
Rot. Bonds2

About (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (PubChem CID 11500364) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].

Molecular Properties

Compound Name(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
PubChem CID11500364
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
SMILESC=C=CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2
InChIInChI=1S/C15H22O6/c1-6-7-16-12-11-10(19-14(4,5)20-11)8-17-15(12)9-18-13(2,3)21-15/h7,10-12H,1,8-9H2,2-5H3/t10-,11-,12+,15+/m1/s1
InChIKeyYAEAIEJWTVNELN-FJJYHAOUSA-N
XLogP1.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The IUPAC name of (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (CID 11500364) is (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].
What is the SMILES notation for (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The canonical SMILES for (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is C=C=CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2.
What is the InChIKey of (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The InChIKey is YAEAIEJWTVNELN-FJJYHAOUSA-N. The full InChI is InChI=1S/C15H22O6/c1-6-7-16-12-11-10(19-14(4,5)20-11)8-17-15(12)9-18-13(2,3)21-15/h7,10-12H,1,8-9H2,2-5H3/t10-,11-,12+,15+/m1/s1.
What are the key properties of (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] has a molecular weight of 298.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethyl-7'-propa-1,2-dienoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is sourced from PubChem (CID 11500364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).