(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one

C17H28OSi — CID 10492748

IUPAC(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one
SMILESC=C(C)C(=O)CC/C=C/C=C/C(=C/C)C[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-7-16(14-19(4,5)6)12-10-8-9-11-13-17(18)15(2)3/h7-10,12H,2,11,13-14H2,1,3-6H3/b9-8+,12-10+,16-7-
InChIKeyPHGZGIGFRMWXCA-VEGMGYAWSA-N
MW276.50 g/mol
LogP5.31
Rot. Bonds8

About (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one

(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one (PubChem CID 10492748) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one.

Molecular Properties

Compound Name(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one
PubChem CID10492748
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one
SMILESC=C(C)C(=O)CC/C=C/C=C/C(=C/C)C[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-7-16(14-19(4,5)6)12-10-8-9-11-13-17(18)15(2)3/h7-10,12H,2,11,13-14H2,1,3-6H3/b9-8+,12-10+,16-7-
InChIKeyPHGZGIGFRMWXCA-VEGMGYAWSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,6,8,12-Tetradecatetraen-5-one, 9,13-dimethyl-
CID 163150
4-Methylidene-3-trimethylsilylcyclohex-2-en-1-one
CID 102280034
(5E)-3-methylidene-5-trimethylsilylnona-5,8-dien-4-one
CID 11658624
(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one
CID 12935884
3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-one
CID 14175466
2,6-Dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one
CID 14928913
(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
CID 15001359
(5E)-6,10-dimethyl-11-(trimethylsilyl)undeca-5,9-dien-2-one
CID 60147474
2-(1-Trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
CID 102200919
2-Ethyl-6-trimethylsilylcyclohexa-2,5-dien-1-one
CID 134880250
(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one
CID 134885224
2-[(2E)-hexa-2,5-dienyl]-5,6-dimethyl-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
CID 134924204

Frequently Asked Questions

What is the IUPAC name of (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one?
The IUPAC name of (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one (CID 10492748) is (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one.
What is the SMILES notation for (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one?
The canonical SMILES for (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one is C=C(C)C(=O)CC/C=C/C=C/C(=C/C)C[Si](C)(C)C.
What is the InChIKey of (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one?
The InChIKey is PHGZGIGFRMWXCA-VEGMGYAWSA-N. The full InChI is InChI=1S/C17H28OSi/c1-7-16(14-19(4,5)6)12-10-8-9-11-13-17(18)15(2)3/h7-10,12H,2,11,13-14H2,1,3-6H3/b9-8+,12-10+,16-7-.
What are the key properties of (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one?
(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one has a molecular weight of 276.50 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one is sourced from PubChem (CID 10492748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).