[3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol

C14H27NO5 — CID 91516241

IUPAC[3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol
SMILESCOC1(OC)COC2C(CO)CN(COC(C)(C)C)C21
InChIInChI=1S/C14H27NO5/c1-13(2,3)20-9-15-6-10(7-16)11-12(15)14(17-4,18-5)8-19-11/h10-12,16H,6-9H2,1-5H3
InChIKeyDAMHDYVROCQZNA-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.44
Rot. Bonds5

About [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol

[3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol (PubChem CID 91516241) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol.

Molecular Properties

Compound Name[3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol
PubChem CID91516241
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name[3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol
SMILESCOC1(OC)COC2C(CO)CN(COC(C)(C)C)C21
InChIInChI=1S/C14H27NO5/c1-13(2,3)20-9-15-6-10(7-16)11-12(15)14(17-4,18-5)8-19-11/h10-12,16H,6-9H2,1-5H3
InChIKeyDAMHDYVROCQZNA-UHFFFAOYSA-N
XLogP0.44
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-methyl-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate
CID 70228766
tert-butyl 6-hydroxy-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate
CID 76563440
tert-butyl (3aS,6S,6aR)-6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate
CID 172984117
tert-butyl (3R)-3-[(3aS,6R,6aS)-6-chloro-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carbonyl]-5-methylhexanoate
CID 58247477
tert-butyl (3aS,6R,6aS)-6-chloro-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;tert-butyl (3aS,6R,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 158975266
tert-butyl (3aS,6aS)-3,3-dimethoxy-6-oxo-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 58149480
[(2S,4aS,7aR)-4-[(2-methylpropan-2-yl)oxymethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-2-yl]methanol
CID 175950150
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
(3aS,6S)-4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-6-carbonitrile
CID 70229298
tert-butyl (3aS,6S,6aR)-6-ethynyl-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate;tert-butyl N-[(1S)-2-[(3aS,6R,6aR)-6-ethynyl-3,3-dimethoxy-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]carbamate;(2S)-2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 167547501
1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde
CID 90788429

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol?
The IUPAC name of [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol (CID 91516241) is [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol.
What is the SMILES notation for [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol?
The canonical SMILES for [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol is COC1(OC)COC2C(CO)CN(COC(C)(C)C)C21.
What is the InChIKey of [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol?
The InChIKey is DAMHDYVROCQZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-13(2,3)20-9-15-6-10(7-16)11-12(15)14(17-4,18-5)8-19-11/h10-12,16H,6-9H2,1-5H3.
What are the key properties of [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol?
[3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol has a molecular weight of 289.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethoxy-4-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-6-yl]methanol is sourced from PubChem (CID 91516241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).