(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine

C12H27NOSi — CID 121015221

IUPAC(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
SMILESC=C[C@H](N)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27NOSi/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7,11H,1,8-10,13H2,2-6H3/t11-/m0/s1
InChIKeyCABSEJWUERTNEV-NSHDSACASA-N
MW229.44 g/mol
LogP3.30
Rot. Bonds6

About (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine

(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine (PubChem CID 121015221) has the molecular formula C12H27NOSi and a molecular weight of 229.44 g/mol. Its IUPAC name is (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine.

Molecular Properties

Compound Name(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
PubChem CID121015221
Molecular FormulaC12H27NOSi
Molecular Weight229.44 g/mol
Exact Mass229.19
IUPAC Name(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
SMILESC=C[C@H](N)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27NOSi/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7,11H,1,8-10,13H2,2-6H3/t11-/m0/s1
InChIKeyCABSEJWUERTNEV-NSHDSACASA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
CID 23253498
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate
CID 71544922

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine?
The IUPAC name of (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine (CID 121015221) is (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine.
What is the SMILES notation for (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine?
The canonical SMILES for (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine is C=C[C@H](N)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine?
The InChIKey is CABSEJWUERTNEV-NSHDSACASA-N. The full InChI is InChI=1S/C12H27NOSi/c1-7-11(13)9-8-10-14-15(5,6)12(2,3)4/h7,11H,1,8-10,13H2,2-6H3/t11-/m0/s1.
What are the key properties of (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine?
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine has a molecular weight of 229.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine is sourced from PubChem (CID 121015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).