(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal

C14H28O2Si — CID 102111757

IUPAC(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C14H28O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h9-13H,1H2,2-8H3/t11-,12?,13+/m0/s1
InChIKeyIMXFTWHDNHSYPX-IAMFDIQRSA-N
MW256.46 g/mol
LogP4.03
Rot. Bonds6

About (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal

(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal (PubChem CID 102111757) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal.

Molecular Properties

Compound Name(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
PubChem CID102111757
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C14H28O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h9-13H,1H2,2-8H3/t11-,12?,13+/m0/s1
InChIKeyIMXFTWHDNHSYPX-IAMFDIQRSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.03
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

(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11470861
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-4-enal
CID 134931119
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
CID 134992905
(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
(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 121013455
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11149545
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11345885
(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11402630
(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
CID 10968548
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 10977251

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal?
The IUPAC name of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal (CID 102111757) is (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal.
What is the SMILES notation for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal?
The canonical SMILES for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal is C=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal?
The InChIKey is IMXFTWHDNHSYPX-IAMFDIQRSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h9-13H,1H2,2-8H3/t11-,12?,13+/m0/s1.
What are the key properties of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal?
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal has a molecular weight of 256.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal is sourced from PubChem (CID 102111757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).