11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one

C18H34OSi — CID 102064416

IUPAC11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one
SMILESC=C(CCC=C(C)C)C(CCC(=O)CC)C[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-8-18(19)13-12-17(14-20(5,6)7)16(4)11-9-10-15(2)3/h10,17H,4,8-9,11-14H2,1-3,5-7H3
InChIKeyMJRLSIJCVDIDRU-UHFFFAOYSA-N
MW294.56 g/mol
LogP6.00
Rot. Bonds10

About 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one

11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one (PubChem CID 102064416) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one.

Molecular Properties

Compound Name11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one
PubChem CID102064416
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one
SMILESC=C(CCC=C(C)C)C(CCC(=O)CC)C[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-8-18(19)13-12-17(14-20(5,6)7)16(4)11-9-10-15(2)3/h10,17H,4,8-9,11-14H2,1-3,5-7H3
InChIKeyMJRLSIJCVDIDRU-UHFFFAOYSA-N
XLogP6.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.00
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'}

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Related Compounds

Tetrahydro-pseudo-ionone
CID 102604
1-Propanone, 1-[6-methyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109192
1-Propanone, 1-[6-methyl-3-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109191
(2S,3Z,7E,11R)-7,11-dimethyl-4-propan-2-yl-2-prop-1-en-2-ylcyclododeca-3,7-dien-1-one
CID 162876514
(2S,3Z,7E,11S)-7,11-dimethyl-4-propan-2-yl-2-prop-1-en-2-ylcyclododeca-3,7-dien-1-one
CID 14781244
(2S,3E,7E,11S)-7,11-dimethyl-4-propan-2-yl-2-prop-1-en-2-ylcyclododeca-3,7-dien-1-one
CID 14781247
(3E,7E,10R,13R)-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradeca-3,7-dien-1-one
CID 21672096
(2S,3E,7E,11R)-7,11-dimethyl-4-propan-2-yl-2-prop-1-en-2-ylcyclododeca-3,7-dien-1-one
CID 162876515
(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one
CID 162911700
(3E,7E,10R,13S)-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradeca-3,7-dien-1-one
CID 162914112
(3Z,5Z,9E,13R)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-3,5,9-trien-1-one
CID 162928613
(3E,5E,9E,13R)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-3,5,9-trien-1-one
CID 162928614

Frequently Asked Questions

What is the IUPAC name of 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one?
The IUPAC name of 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one (CID 102064416) is 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one.
What is the SMILES notation for 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one?
The canonical SMILES for 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one is C=C(CCC=C(C)C)C(CCC(=O)CC)C[Si](C)(C)C.
What is the InChIKey of 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one?
The InChIKey is MJRLSIJCVDIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-18(19)13-12-17(14-20(5,6)7)16(4)11-9-10-15(2)3/h10,17H,4,8-9,11-14H2,1-3,5-7H3.
What are the key properties of 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one?
11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one has a molecular weight of 294.56 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7-methylidene-6-(trimethylsilylmethyl)dodec-10-en-3-one is sourced from PubChem (CID 102064416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).