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

C12H21NO6 — CID 20812304

IUPAC(6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate
SMILESCOC1C(OC(N)=O)C2OC(C)(C)OC2OC1(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)
InChIKeyPQVXVJFYVRFOTK-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.75
Rot. Bonds2

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

(6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate (PubChem CID 20812304) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is (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(6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate
PubChem CID20812304
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name(6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate
SMILESCOC1C(OC(N)=O)C2OC(C)(C)OC2OC1(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)
InChIKeyPQVXVJFYVRFOTK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of (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 (6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate (CID 20812304) is (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 (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 (6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate is COC1C(OC(N)=O)C2OC(C)(C)OC2OC1(C)C.
What is the InChIKey of (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-UHFFFAOYSA-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).
What are the key properties of (6-methoxy-2,2,5,5-tetramethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-yl) carbamate?
(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 (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 20812304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).