(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal

C15H30O2Si — CID 24884888

IUPAC(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)C=O
InChIInChI=1S/C15H30O2Si/c1-9-14(13(3)10-12(2)11-16)17-18(7,8)15(4,5)6/h9,11-14H,1,10H2,2-8H3/t12?,13-,14-/m1/s1
InChIKeyXECVHSIMERXCRL-ILMHWDKJSA-N
MW270.49 g/mol
LogP4.42
Rot. Bonds7

About (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal

(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal (PubChem CID 24884888) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal.

Molecular Properties

Compound Name(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
PubChem CID24884888
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)C=O
InChIInChI=1S/C15H30O2Si/c1-9-14(13(3)10-12(2)11-16)17-18(7,8)15(4,5)6/h9,11-14H,1,10H2,2-8H3/t12?,13-,14-/m1/s1
InChIKeyXECVHSIMERXCRL-ILMHWDKJSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.42
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

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
2-Methyl-4-trimethylsilyloxyhept-6-enal
CID 57055099
2-Ethyl-4-trimethylsilyloxyhept-6-enal
CID 57252947
2-[4-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 85416374
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyloct-7-ynal
CID 140189156
2-[(1S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 173576499
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-enal
CID 10777366
(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal
CID 11010598
2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 11149165
cis-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carbaldehyde
CID 11162274

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal?
The IUPAC name of (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal (CID 24884888) is (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal.
What is the SMILES notation for (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal?
The canonical SMILES for (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)C=O.
What is the InChIKey of (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal?
The InChIKey is XECVHSIMERXCRL-ILMHWDKJSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-14(13(3)10-12(2)11-16)17-18(7,8)15(4,5)6/h9,11-14H,1,10H2,2-8H3/t12?,13-,14-/m1/s1.
What are the key properties of (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal?
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal has a molecular weight of 270.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal is sourced from PubChem (CID 24884888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).