(4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol

C12H20O6 — CID 11097297

IUPAC(4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol
SMILESCC1(C)OC[C@@H]2O[C@]3(COC(C)(C)O3)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C12H20O6/c1-10(2)14-5-7-8(17-10)9(13)12(16-7)6-15-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1
InChIKeyQJEJCBLGJUDCTN-NHRVJRKFSA-N
MW260.29 g/mol
LogP0.38
Rot. Bonds

About (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol

(4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol (PubChem CID 11097297) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol.

Molecular Properties

Compound Name(4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol
PubChem CID11097297
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol
SMILESCC1(C)OC[C@@H]2O[C@]3(COC(C)(C)O3)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C12H20O6/c1-10(2)14-5-7-8(17-10)9(13)12(16-7)6-15-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1
InChIKeyQJEJCBLGJUDCTN-NHRVJRKFSA-N
XLogP0.38
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol?
The IUPAC name of (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol (CID 11097297) is (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol.
What is the SMILES notation for (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol?
The canonical SMILES for (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol is CC1(C)OC[C@@H]2O[C@]3(COC(C)(C)O3)[C@@H](O)[C@@H]2O1.
What is the InChIKey of (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol?
The InChIKey is QJEJCBLGJUDCTN-NHRVJRKFSA-N. The full InChI is InChI=1S/C12H20O6/c1-10(2)14-5-7-8(17-10)9(13)12(16-7)6-15-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1.
What are the key properties of (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol?
(4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol has a molecular weight of 260.29 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol is sourced from PubChem (CID 11097297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).