(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal

C12H24O2Si — CID 121013455

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
SMILESC=CC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t11-/m0/s1
InChIKeyDCMPPGPYYDHRHY-NSHDSACASA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal

(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal (PubChem CID 121013455) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
PubChem CID121013455
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
SMILESC=CC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t11-/m0/s1
InChIKeyDCMPPGPYYDHRHY-NSHDSACASA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 23584109
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enal
CID 88194273
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enal
CID 101902361
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-enal
CID 140749986
(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal
CID 10830885
3-[Tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal
CID 10977196
(2R,3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylpent-4-enal
CID 71427752
(3S)-3-methyl-3-trimethylsilyloxyhex-5-enal
CID 101526189
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 101799051
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(e)-8-[t-Butyl(dimethyl)silyloxy]oct-5-enal
CID 132279469
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-enal
CID 134838803

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal (CID 121013455) is (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal is C=CC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
The InChIKey is DCMPPGPYYDHRHY-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t11-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal is sourced from PubChem (CID 121013455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).