(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine

C13H29NO3Si — CID 174151218

IUPAC(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine
SMILESCO[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC[C@@H]1N
InChIInChI=1S/C13H29NO3Si/c1-13(2,3)18(5,6)17-8-10-7-12(15-4)11(14)9-16-10/h10-12H,7-9,14H2,1-6H3/t10-,11-,12-/m0/s1
InChIKeyLUEKIPVMPDBVNM-SRVKXCTJSA-N
MW275.46 g/mol
LogP2.14
Rot. Bonds4

About (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine

(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine (PubChem CID 174151218) has the molecular formula C13H29NO3Si and a molecular weight of 275.46 g/mol. Its IUPAC name is (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine.

Molecular Properties

Compound Name(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine
PubChem CID174151218
Molecular FormulaC13H29NO3Si
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine
SMILESCO[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC[C@@H]1N
InChIInChI=1S/C13H29NO3Si/c1-13(2,3)18(5,6)17-8-10-7-12(15-4)11(14)9-16-10/h10-12H,7-9,14H2,1-6H3/t10-,11-,12-/m0/s1
InChIKeyLUEKIPVMPDBVNM-SRVKXCTJSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(1,3-dioxolan-4-ylmethoxy)-dimethylsilane
CID 152706381
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 174001100
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-amine
CID 19794261
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
tert-butyl-[(3-hydroxy-1,3-oxazinan-6-yl)methoxy]-dimethylsilane
CID 100978692
2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
CID 67291290
(3S,5S)-5-(methoxymethyl)oxolan-3-amine
CID 131220331
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine?
The IUPAC name of (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine (CID 174151218) is (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine.
What is the SMILES notation for (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine?
The canonical SMILES for (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine is CO[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC[C@@H]1N.
What is the InChIKey of (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine?
The InChIKey is LUEKIPVMPDBVNM-SRVKXCTJSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-13(2,3)18(5,6)17-8-10-7-12(15-4)11(14)9-16-10/h10-12H,7-9,14H2,1-6H3/t10-,11-,12-/m0/s1.
What are the key properties of (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine?
(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine has a molecular weight of 275.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine is sourced from PubChem (CID 174151218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).