tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate

C14H25NO6 — CID 72790590

IUPACtert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate
SMILESCOC1OC(CNC(=O)OC(C)(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C14H25NO6/c1-13(2,3)21-12(16)15-7-8-9-10(11(17-6)18-8)20-14(4,5)19-9/h8-11H,7H2,1-6H3,(H,15,16)
InChIKeyPCGLIWSVVGPYFD-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate

tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate (PubChem CID 72790590) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate
PubChem CID72790590
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Nametert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate
SMILESCOC1OC(CNC(=O)OC(C)(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C14H25NO6/c1-13(2,3)21-12(16)15-7-8-9-10(11(17-6)18-8)20-14(4,5)19-9/h8-11H,7H2,1-6H3,(H,15,16)
InChIKeyPCGLIWSVVGPYFD-UHFFFAOYSA-N
XLogP1.40
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate (CID 72790590) is tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate is COC1OC(CNC(=O)OC(C)(C)C)C2OC(C)(C)OC12.
What is the InChIKey of tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate?
The InChIKey is PCGLIWSVVGPYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-13(2,3)21-12(16)15-7-8-9-10(11(17-6)18-8)20-14(4,5)19-9/h8-11H,7H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate?
tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]carbamate is sourced from PubChem (CID 72790590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).