2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol

C12H21NO5 — CID 163516414

IUPAC2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol
SMILESCC1(C)NCC2(CO1)OC1OC(C)(C)OC1C2O
InChIInChI=1S/C12H21NO5/c1-10(2)13-5-12(6-15-10)8(14)7-9(18-12)17-11(3,4)16-7/h7-9,13-14H,5-6H2,1-4H3
InChIKeyDHDQJRHNUZKRQJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.05
Rot. Bonds

About 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol

2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol (PubChem CID 163516414) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol.

Molecular Properties

Compound Name2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol
PubChem CID163516414
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol
SMILESCC1(C)NCC2(CO1)OC1OC(C)(C)OC1C2O
InChIInChI=1S/C12H21NO5/c1-10(2)13-5-12(6-15-10)8(14)7-9(18-12)17-11(3,4)16-7/h7-9,13-14H,5-6H2,1-4H3
InChIKeyDHDQJRHNUZKRQJ-UHFFFAOYSA-N
XLogP-0.05
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol?
The IUPAC name of 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol (CID 163516414) is 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol.
What is the SMILES notation for 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol?
The canonical SMILES for 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol is CC1(C)NCC2(CO1)OC1OC(C)(C)OC1C2O.
What is the InChIKey of 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol?
The InChIKey is DHDQJRHNUZKRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-10(2)13-5-12(6-15-10)8(14)7-9(18-12)17-11(3,4)16-7/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol?
2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol has a molecular weight of 259.30 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2',2'-tetramethylspiro[1,3-oxazinane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol is sourced from PubChem (CID 163516414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).