(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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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).