(3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol

C13H22O5 — CID 58479498

IUPAC(3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol
SMILESCC1(C)CC[C@@]2(OC[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1
InChIInChI=1S/C13H22O5/c1-11(2)5-6-13(18-11)10(14)9-8(7-15-13)16-12(3,4)17-9/h8-10,14H,5-7H2,1-4H3/t8-,9-,10+,13+/m0/s1
InChIKeyVUDRUFXJGBFZSS-QISWUMQESA-N
MW258.31 g/mol
LogP1.18
Rot. Bonds

About (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol

(3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol (PubChem CID 58479498) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol.

Molecular Properties

Compound Name(3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol
PubChem CID58479498
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol
SMILESCC1(C)CC[C@@]2(OC[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1
InChIInChI=1S/C13H22O5/c1-11(2)5-6-13(18-11)10(14)9-8(7-15-13)16-12(3,4)17-9/h8-10,14H,5-7H2,1-4H3/t8-,9-,10+,13+/m0/s1
InChIKeyVUDRUFXJGBFZSS-QISWUMQESA-N
XLogP1.18
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol?
The IUPAC name of (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol (CID 58479498) is (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol.
What is the SMILES notation for (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol?
The canonical SMILES for (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol is CC1(C)CC[C@@]2(OC[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1.
What is the InChIKey of (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol?
The InChIKey is VUDRUFXJGBFZSS-QISWUMQESA-N. The full InChI is InChI=1S/C13H22O5/c1-11(2)5-6-13(18-11)10(14)9-8(7-15-13)16-12(3,4)17-9/h8-10,14H,5-7H2,1-4H3/t8-,9-,10+,13+/m0/s1.
What are the key properties of (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol?
(3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol has a molecular weight of 258.31 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,7R,7aR)-2,2,5',5'-tetramethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxolane]-7-ol is sourced from PubChem (CID 58479498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).