(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one

C14H26OSi — CID 10823873

IUPAC(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
SMILESC/C=C/C(=O)C(C)(C)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-10-13(15)14(2,3)11-8-9-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b9-8+,10-7+
InChIKeyMOXIINIYEZQJKC-DGLUDJRXSA-N
MW238.45 g/mol
LogP4.44
Rot. Bonds6

About (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one

(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one (PubChem CID 10823873) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one.

Molecular Properties

Compound Name(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
PubChem CID10823873
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
SMILESC/C=C/C(=O)C(C)(C)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-10-13(15)14(2,3)11-8-9-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b9-8+,10-7+
InChIKeyMOXIINIYEZQJKC-DGLUDJRXSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
The IUPAC name of (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one (CID 10823873) is (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one.
What is the SMILES notation for (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
The canonical SMILES for (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one is C/C=C/C(=O)C(C)(C)C/C=C/C[Si](C)(C)C.
What is the InChIKey of (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
The InChIKey is MOXIINIYEZQJKC-DGLUDJRXSA-N. The full InChI is InChI=1S/C14H26OSi/c1-7-10-13(15)14(2,3)11-8-9-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b9-8+,10-7+.
What are the key properties of (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one?
(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one has a molecular weight of 238.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one is sourced from PubChem (CID 10823873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).