2-methyl-4-trimethylsilyloxyhept-6-enal

C11H22O2Si — CID 57055099

IUPAC2-methyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C)C=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-11(8-10(2)9-12)13-14(3,4)5/h6,9-11H,1,7-8H2,2-5H3
InChIKeyCWLMBJZRGOEMQQ-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.01
Rot. Bonds7

About 2-methyl-4-trimethylsilyloxyhept-6-enal

2-methyl-4-trimethylsilyloxyhept-6-enal (PubChem CID 57055099) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-methyl-4-trimethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name2-methyl-4-trimethylsilyloxyhept-6-enal
PubChem CID57055099
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-methyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C)C=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-11(8-10(2)9-12)13-14(3,4)5/h6,9-11H,1,7-8H2,2-5H3
InChIKeyCWLMBJZRGOEMQQ-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.01
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-ethylpent-4-enal
CID 134931119
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
CID 134992905
(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
CID 10968548
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
(3S)-3-methyl-3-trimethylsilyloxyhept-6-enal
CID 44239222
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
CID 134964705
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296
(2R,3R,4R)-2,4-dimethyl-3-triethylsilyloxyhex-5-enal
CID 138979488
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloct-7-en-2-one
CID 154718743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethylsilyloxyhept-6-enal?
The IUPAC name of 2-methyl-4-trimethylsilyloxyhept-6-enal (CID 57055099) is 2-methyl-4-trimethylsilyloxyhept-6-enal.
What is the SMILES notation for 2-methyl-4-trimethylsilyloxyhept-6-enal?
The canonical SMILES for 2-methyl-4-trimethylsilyloxyhept-6-enal is C=CCC(CC(C)C=O)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-trimethylsilyloxyhept-6-enal?
The InChIKey is CWLMBJZRGOEMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-7-11(8-10(2)9-12)13-14(3,4)5/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 2-methyl-4-trimethylsilyloxyhept-6-enal?
2-methyl-4-trimethylsilyloxyhept-6-enal has a molecular weight of 214.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylsilyloxyhept-6-enal is sourced from PubChem (CID 57055099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).