2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol

C13H22O6 — CID 22081778

IUPAC2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
SMILESCC(C)C1OC2COC3(COC(C)(C)O3)C(O)C2O1
InChIInChI=1S/C13H22O6/c1-7(2)11-17-8-5-15-13(10(14)9(8)18-11)6-16-12(3,4)19-13/h7-11,14H,5-6H2,1-4H3
InChIKeyGWXBBDAKNRCSFM-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.62
Rot. Bonds1

About 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol

2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol (PubChem CID 22081778) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol.

Molecular Properties

Compound Name2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
PubChem CID22081778
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
SMILESCC(C)C1OC2COC3(COC(C)(C)O3)C(O)C2O1
InChIInChI=1S/C13H22O6/c1-7(2)11-17-8-5-15-13(10(14)9(8)18-11)6-16-12(3,4)19-13/h7-11,14H,5-6H2,1-4H3
InChIKeyGWXBBDAKNRCSFM-UHFFFAOYSA-N
XLogP0.62
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol with MolForge

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Related Compounds

(3'aS,4R,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101246367
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 12719660
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797
CID 10494452
CID 10494452
(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol
CID 101410633
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-phenyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 11003850
(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10427826
(2'R,3'aR,4S,7'S,7'aR)-2'-[(1R)-2,2-dimethylcyclopropyl]-2,2-dimethyl-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10253979
(2'S,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(1R,2R)-2-phenylcyclopropyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10044185
bis[(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl] naphthalene-2,6-dicarboxylate
CID 102511172
(5S,6S,7R,8R)-7-fluoro-2,2-dimethyl-8-phenylmethoxy-1,3,10-trioxaspiro[4.5]decan-6-ol
CID 134933768

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol?
The IUPAC name of 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol (CID 22081778) is 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol.
What is the SMILES notation for 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol?
The canonical SMILES for 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol is CC(C)C1OC2COC3(COC(C)(C)O3)C(O)C2O1.
What is the InChIKey of 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol?
The InChIKey is GWXBBDAKNRCSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-7(2)11-17-8-5-15-13(10(14)9(8)18-11)6-16-12(3,4)19-13/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol?
2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol has a molecular weight of 274.31 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol is sourced from PubChem (CID 22081778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).