4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol

C18H31NO4Si — CID 67134728

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CNc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H31NO4Si/c1-18(2,3)24(4,5)23-9-8-15(20)13-19-14-6-7-16-17(12-14)22-11-10-21-16/h6-7,12,15,19-20H,8-11,13H2,1-5H3
InChIKeyCWAQDBSNZZTWOQ-UHFFFAOYSA-N
MW353.54 g/mol
LogP3.64
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol (PubChem CID 67134728) has the molecular formula C18H31NO4Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol
PubChem CID67134728
Molecular FormulaC18H31NO4Si
Molecular Weight353.54 g/mol
Exact Mass353.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CNc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H31NO4Si/c1-18(2,3)24(4,5)23-9-8-15(20)13-19-14-6-7-16-17(12-14)22-11-10-21-16/h6-7,12,15,19-20H,8-11,13H2,1-5H3
InChIKeyCWAQDBSNZZTWOQ-UHFFFAOYSA-N
XLogP3.64
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol with MolForge

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Related Compounds

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-benzodioxol-5-amine
CID 54068483
4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexa-1,5-dien-1-ylamino)butan-2-ol
CID 141220101
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanoate
CID 43538500
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanenitrile
CID 43245373
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 103233841
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]pentan-3-ol
CID 114492624
N-(methoxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115258197
methyl 2-bromo-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoate
CID 103232397
N-(4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 114209373
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol (CID 67134728) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol is CC(C)(C)[Si](C)(C)OCCC(O)CNc1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol?
The InChIKey is CWAQDBSNZZTWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4Si/c1-18(2,3)24(4,5)23-9-8-15(20)13-19-14-6-7-16-17(12-14)22-11-10-21-16/h6-7,12,15,19-20H,8-11,13H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol has a molecular weight of 353.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butan-2-ol is sourced from PubChem (CID 67134728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).