(3R)-3-methyl-5-triethylsilyloxyhept-6-enal

C14H28O2Si — CID 25112422

IUPAC(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
SMILESC=CC(C[C@@H](C)CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H28O2Si/c1-6-14(12-13(5)10-11-15)16-17(7-2,8-3)9-4/h6,11,13-14H,1,7-10,12H2,2-5H3/t13-,14?/m0/s1
InChIKeyKZCSECBWHOSCJK-LSLKUGRBSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds10

About (3R)-3-methyl-5-triethylsilyloxyhept-6-enal

(3R)-3-methyl-5-triethylsilyloxyhept-6-enal (PubChem CID 25112422) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (3R)-3-methyl-5-triethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
PubChem CID25112422
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
SMILESC=CC(C[C@@H](C)CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H28O2Si/c1-6-14(12-13(5)10-11-15)16-17(7-2,8-3)9-4/h6,11,13-14H,1,7-10,12H2,2-5H3/t13-,14?/m0/s1
InChIKeyKZCSECBWHOSCJK-LSLKUGRBSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
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
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(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 (3R)-3-methyl-5-triethylsilyloxyhept-6-enal?
The IUPAC name of (3R)-3-methyl-5-triethylsilyloxyhept-6-enal (CID 25112422) is (3R)-3-methyl-5-triethylsilyloxyhept-6-enal.
What is the SMILES notation for (3R)-3-methyl-5-triethylsilyloxyhept-6-enal?
The canonical SMILES for (3R)-3-methyl-5-triethylsilyloxyhept-6-enal is C=CC(C[C@@H](C)CC=O)O[Si](CC)(CC)CC.
What is the InChIKey of (3R)-3-methyl-5-triethylsilyloxyhept-6-enal?
The InChIKey is KZCSECBWHOSCJK-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-14(12-13(5)10-11-15)16-17(7-2,8-3)9-4/h6,11,13-14H,1,7-10,12H2,2-5H3/t13-,14?/m0/s1.
What are the key properties of (3R)-3-methyl-5-triethylsilyloxyhept-6-enal?
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-triethylsilyloxyhept-6-enal is sourced from PubChem (CID 25112422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).