[(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate

C12H21NO6 — CID 11460044

IUPAC[(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate
SMILESCO[C@@H]1[C@@H](OC(N)=O)[C@H]2OC(C)(C)O[C@H]2OC1(C)C
InChIInChI=1S/C12H21NO6/c1-11(2)8(15-5)6(16-10(13)14)7-9(18-11)19-12(3,4)17-7/h6-9H,1-5H3,(H2,13,14)/t6-,7+,8+,9+/m0/s1
InChIKeyPQVXVJFYVRFOTK-JQCXWYLXSA-N
MW275.30 g/mol
LogP0.75
Rot. Bonds2

About [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate

[(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate (PubChem CID 11460044) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate.

Molecular Properties

Compound Name[(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate
PubChem CID11460044
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name[(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate
SMILESCO[C@@H]1[C@@H](OC(N)=O)[C@H]2OC(C)(C)O[C@H]2OC1(C)C
InChIInChI=1S/C12H21NO6/c1-11(2)8(15-5)6(16-10(13)14)7-9(18-11)19-12(3,4)17-7/h6-9H,1-5H3,(H2,13,14)/t6-,7+,8+,9+/m0/s1
InChIKeyPQVXVJFYVRFOTK-JQCXWYLXSA-N
XLogP0.75
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate?
The IUPAC name of [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate (CID 11460044) is [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate.
What is the SMILES notation for [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate?
The canonical SMILES for [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate is CO[C@@H]1[C@@H](OC(N)=O)[C@H]2OC(C)(C)O[C@H]2OC1(C)C.
What is the InChIKey of [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate?
The InChIKey is PQVXVJFYVRFOTK-JQCXWYLXSA-N. The full InChI is InChI=1S/C12H21NO6/c1-11(2)8(15-5)6(16-10(13)14)7-9(18-11)19-12(3,4)17-7/h6-9H,1-5H3,(H2,13,14)/t6-,7+,8+,9+/m0/s1.
What are the key properties of [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate?
[(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate has a molecular weight of 275.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,7R,7aR)-6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl] carbamate is sourced from PubChem (CID 11460044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).