[(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C14H25NO5 — CID 15677941

IUPAC[(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2CO)[C@@H]2NCC[C@@H]2O1
InChIInChI=1S/C14H25NO5/c1-13(2)17-8-5-6-15-10(8)12(20-13)11-9(7-16)18-14(3,4)19-11/h8-12,15-16H,5-7H2,1-4H3/t8-,9-,10+,11+,12-/m0/s1
InChIKeyYILKVCCNABEMAJ-HGCLJGPKSA-N
MW287.36 g/mol
LogP0.38
Rot. Bonds2

About [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 15677941) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID15677941
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name[(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2CO)[C@@H]2NCC[C@@H]2O1
InChIInChI=1S/C14H25NO5/c1-13(2)17-8-5-6-15-10(8)12(20-13)11-9(7-16)18-14(3,4)19-11/h8-12,15-16H,5-7H2,1-4H3/t8-,9-,10+,11+,12-/m0/s1
InChIKeyYILKVCCNABEMAJ-HGCLJGPKSA-N
XLogP0.38
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 15677941) is [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2CO)[C@@H]2NCC[C@@H]2O1.
What is the InChIKey of [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is YILKVCCNABEMAJ-HGCLJGPKSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2)17-8-5-6-15-10(8)12(20-13)11-9(7-16)18-14(3,4)19-11/h8-12,15-16H,5-7H2,1-4H3/t8-,9-,10+,11+,12-/m0/s1.
What are the key properties of [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(4S,4aR,7aS)-2,2-dimethyl-4,4a,5,6,7,7a-hexahydro-[1,3]dioxino[5,4-b]pyrrol-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 15677941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).