(1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

C23H45NO4Si — CID 101401016

IUPAC(1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCCCCCCCCC1=N[C@@H]([C@@H](O)CO[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C23H45NO4Si/c1-9-10-11-12-13-14-15-17-20-21(28-23(5,6)27-20)19(24-17)18(25)16-26-29(7,8)22(2,3)4/h18-21,25H,9-16H2,1-8H3/t18-,19-,20+,21-/m0/s1
InChIKeyIDPGLRQCEGZYOB-BURNTYAHSA-N
MW427.70 g/mol
LogP5.46
Rot. Bonds11

About (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

(1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (PubChem CID 101401016) has the molecular formula C23H45NO4Si and a molecular weight of 427.70 g/mol. Its IUPAC name is (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.

Molecular Properties

Compound Name(1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
PubChem CID101401016
Molecular FormulaC23H45NO4Si
Molecular Weight427.70 g/mol
Exact Mass427.31
IUPAC Name(1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCCCCCCCCC1=N[C@@H]([C@@H](O)CO[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C23H45NO4Si/c1-9-10-11-12-13-14-15-17-20-21(28-23(5,6)27-20)19(24-17)18(25)16-26-29(7,8)22(2,3)4/h18-21,25H,9-16H2,1-8H3/t18-,19-,20+,21-/m0/s1
InChIKeyIDPGLRQCEGZYOB-BURNTYAHSA-N
XLogP5.46
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.70
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol with MolForge

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 72993760
2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[hydroxy-(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11774280
ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
CID 44515195
(1R)-1-[(4R,5S)-5-[(2S)-1-benzyl-3,6-dihydro-2H-pyridin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 71613137
(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11602892
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
CID 175428188
(Z)-3-[(4S,5R)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10759008
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-octanoyl-2H-furan-5-one
CID 10072688
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The IUPAC name of (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (CID 101401016) is (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.
What is the SMILES notation for (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The canonical SMILES for (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is CCCCCCCCC1=N[C@@H]([C@@H](O)CO[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The InChIKey is IDPGLRQCEGZYOB-BURNTYAHSA-N. The full InChI is InChI=1S/C23H45NO4Si/c1-9-10-11-12-13-14-15-17-20-21(28-23(5,6)27-20)19(24-17)18(25)16-26-29(7,8)22(2,3)4/h18-21,25H,9-16H2,1-8H3/t18-,19-,20+,21-/m0/s1.
What are the key properties of (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
(1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol has a molecular weight of 427.70 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,6S,6aS)-2,2-dimethyl-4-octyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is sourced from PubChem (CID 101401016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).