2-butyl-4-trimethylsilyloxyhept-6-enal

C14H28O2Si — CID 57299910

IUPAC2-butyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C=O)CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-8-10-13(12-15)11-14(9-7-2)16-17(3,4)5/h7,12-14H,2,6,8-11H2,1,3-5H3
InChIKeySMYWKEQNGFVOGO-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds10

About 2-butyl-4-trimethylsilyloxyhept-6-enal

2-butyl-4-trimethylsilyloxyhept-6-enal (PubChem CID 57299910) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-butyl-4-trimethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name2-butyl-4-trimethylsilyloxyhept-6-enal
PubChem CID57299910
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-butyl-4-trimethylsilyloxyhept-6-enal
SMILESC=CCC(CC(C=O)CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-8-10-13(12-15)11-14(9-7-2)16-17(3,4)5/h7,12-14H,2,6,8-11H2,1,3-5H3
InChIKeySMYWKEQNGFVOGO-UHFFFAOYSA-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

ethyl 10-formyl-12-trimethylsilyloxyoctadecanoate
CID 11327834
oct-1-en-4-yl formate
CID 87501677
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
2-prop-2-enyloctadecanal
CID 173235739
trimethyl(octa-1,7-dien-4-yloxy)silane
CID 18541557
decan-5-yloxy(trimethyl)silane
CID 553210
2-(2,2-diethoxyethyl)hexanal
CID 121007573
6-ethenyldecanal
CID 18790893
4-methoxynon-1-ene
CID 13284925
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
oct-1-en-4-yloxymethanedithioic acid
CID 88696444

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-trimethylsilyloxyhept-6-enal?
The IUPAC name of 2-butyl-4-trimethylsilyloxyhept-6-enal (CID 57299910) is 2-butyl-4-trimethylsilyloxyhept-6-enal.
What is the SMILES notation for 2-butyl-4-trimethylsilyloxyhept-6-enal?
The canonical SMILES for 2-butyl-4-trimethylsilyloxyhept-6-enal is C=CCC(CC(C=O)CCCC)O[Si](C)(C)C.
What is the InChIKey of 2-butyl-4-trimethylsilyloxyhept-6-enal?
The InChIKey is SMYWKEQNGFVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-8-10-13(12-15)11-14(9-7-2)16-17(3,4)5/h7,12-14H,2,6,8-11H2,1,3-5H3.
What are the key properties of 2-butyl-4-trimethylsilyloxyhept-6-enal?
2-butyl-4-trimethylsilyloxyhept-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 2-butyl-4-trimethylsilyloxyhept-6-enal is sourced from PubChem (CID 57299910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).