(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal

C15H26O2Si — CID 125486851

IUPAC(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal
SMILESC#CC[C@](C)(O[Si](CC)(CC)CC)/C(C)=C/C=O
InChIInChI=1S/C15H26O2Si/c1-7-12-15(6,14(5)11-13-16)17-18(8-2,9-3)10-4/h1,11,13H,8-10,12H2,2-6H3/b14-11+/t15-/m0/s1
InChIKeyRSDOLFWVVYUKNY-GOFCXVBSSA-N
MW266.46 g/mol
LogP3.94
Rot. Bonds8

About (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal

(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal (PubChem CID 125486851) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal.

Molecular Properties

Compound Name(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal
PubChem CID125486851
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal
SMILESC#CC[C@](C)(O[Si](CC)(CC)CC)/C(C)=C/C=O
InChIInChI=1S/C15H26O2Si/c1-7-12-15(6,14(5)11-13-16)17-18(8-2,9-3)10-4/h1,11,13H,8-10,12H2,2-6H3/b14-11+/t15-/m0/s1
InChIKeyRSDOLFWVVYUKNY-GOFCXVBSSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.94
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate
CID 125493476
(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol
CID 125486738
3-ethyl-3-methylhex-5-yn-2-one
CID 130028478
tert-butyl-dimethyl-[(3R)-3-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 10570287
trimethyl(2-methylpent-4-yn-2-yloxy)silane
CID 11708134
(2R)-3-fluoro-2-methyl-2-triethylsilyloxypropanal
CID 165380750
4,4-dimethylhex-1-yne
CID 529272
(E)-3-methylhept-2-en-6-ynal
CID 14937332
3-[(2-methylpropan-2-yl)oxy]but-2-enal
CID 175242528
(E)-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one
CID 135074989
2-ethyl-2-methylhex-5-ynal
CID 131070429
CID 101035751
CID 101035751

Frequently Asked Questions

What is the IUPAC name of (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal?
The IUPAC name of (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal (CID 125486851) is (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal.
What is the SMILES notation for (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal?
The canonical SMILES for (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal is C#CC[C@](C)(O[Si](CC)(CC)CC)/C(C)=C/C=O.
What is the InChIKey of (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal?
The InChIKey is RSDOLFWVVYUKNY-GOFCXVBSSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-7-12-15(6,14(5)11-13-16)17-18(8-2,9-3)10-4/h1,11,13H,8-10,12H2,2-6H3/b14-11+/t15-/m0/s1.
What are the key properties of (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal?
(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal has a molecular weight of 266.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal is sourced from PubChem (CID 125486851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).