(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal

C12H26O2Si — CID 11379231

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal
SMILESCCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h10-11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyKFFIVONLTFYHGP-LLVKDONJSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds6

About (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal (PubChem CID 11379231) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal
PubChem CID11379231
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal
SMILESCCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h10-11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyKFFIVONLTFYHGP-LLVKDONJSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal (CID 11379231) is (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal is CCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal?
The InChIKey is KFFIVONLTFYHGP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h10-11H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal has a molecular weight of 230.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal is sourced from PubChem (CID 11379231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).