7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one

C15H30O3Si — CID 172817252

IUPAC7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one
SMILESC=C(C)C(=O)CCCC(C)O[Si](C)(CCC)OCC
InChIInChI=1S/C15H30O3Si/c1-7-12-19(6,17-8-2)18-14(5)10-9-11-15(16)13(3)4/h14H,3,7-12H2,1-2,4-6H3
InChIKeySYZFBQWVOSMQCP-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.23
Rot. Bonds11

About 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one

7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one (PubChem CID 172817252) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one.

Molecular Properties

Compound Name7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one
PubChem CID172817252
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one
SMILESC=C(C)C(=O)CCCC(C)O[Si](C)(CCC)OCC
InChIInChI=1S/C15H30O3Si/c1-7-12-19(6,17-8-2)18-14(5)10-9-11-15(16)13(3)4/h14H,3,7-12H2,1-2,4-6H3
InChIKeySYZFBQWVOSMQCP-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 11324012
CID 11324012
CID 140333683
CID 140333683
CID 140446868
CID 140446868
CID 150115965
CID 150115965
CID 151915328
CID 151915328
CID 153990188
CID 153990188
CID 173063819
CID 173063819
CID 174413287
CID 174413287
CID 175421888
CID 175421888
CID 10634857
CID 10634857
CID 10637844
CID 10637844
CID 11232284
CID 11232284

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one?
The IUPAC name of 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one (CID 172817252) is 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one.
What is the SMILES notation for 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one?
The canonical SMILES for 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one is C=C(C)C(=O)CCCC(C)O[Si](C)(CCC)OCC.
What is the InChIKey of 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one?
The InChIKey is SYZFBQWVOSMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-12-19(6,17-8-2)18-14(5)10-9-11-15(16)13(3)4/h14H,3,7-12H2,1-2,4-6H3.
What are the key properties of 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one?
7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one has a molecular weight of 286.49 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxy-methyl-propylsilyl)oxy-2-methyloct-1-en-3-one is sourced from PubChem (CID 172817252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).