(4Z)-4-trimethylsilylnona-1,4-dien-3-one

C12H22OSi — CID 121011109

IUPAC(4Z)-4-trimethylsilylnona-1,4-dien-3-one
SMILESC=CC(=O)/C(=C/CCCC)[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-6-8-9-10-12(11(13)7-2)14(3,4)5/h7,10H,2,6,8-9H2,1,3-5H3/b12-10-
InChIKeyDCCMPZNOSWQAPU-BENRWUELSA-N
MW210.39 g/mol
LogP3.74
Rot. Bonds6

About (4Z)-4-trimethylsilylnona-1,4-dien-3-one

(4Z)-4-trimethylsilylnona-1,4-dien-3-one (PubChem CID 121011109) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (4Z)-4-trimethylsilylnona-1,4-dien-3-one.

Molecular Properties

Compound Name(4Z)-4-trimethylsilylnona-1,4-dien-3-one
PubChem CID121011109
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(4Z)-4-trimethylsilylnona-1,4-dien-3-one
SMILESC=CC(=O)/C(=C/CCCC)[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-6-8-9-10-12(11(13)7-2)14(3,4)5/h7,10H,2,6,8-9H2,1,3-5H3/b12-10-
InChIKeyDCCMPZNOSWQAPU-BENRWUELSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-trimethylsilylnon-2-enoic acid
CID 10988027
methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate
CID 125474214
2-[dichloro(methyl)silyl]undec-2-enoic acid
CID 174052681
(E)-3-ethenylnon-3-en-2-one
CID 24976667
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
non-1-ene-3,4-dione
CID 57016936
hex-1-enyl prop-2-enoate
CID 54292849
[(E)-dodec-6-en-6-yl]-trimethylsilane
CID 15938239
2-[2-[methyl(trimethylsilyloxy)silyl]ethyl]hept-2-enoic acid
CID 173349939
2-trichlorosilylundec-2-enoic acid
CID 174052679
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-trimethylsilylnona-1,4-dien-3-one?
The IUPAC name of (4Z)-4-trimethylsilylnona-1,4-dien-3-one (CID 121011109) is (4Z)-4-trimethylsilylnona-1,4-dien-3-one.
What is the SMILES notation for (4Z)-4-trimethylsilylnona-1,4-dien-3-one?
The canonical SMILES for (4Z)-4-trimethylsilylnona-1,4-dien-3-one is C=CC(=O)/C(=C/CCCC)[Si](C)(C)C.
What is the InChIKey of (4Z)-4-trimethylsilylnona-1,4-dien-3-one?
The InChIKey is DCCMPZNOSWQAPU-BENRWUELSA-N. The full InChI is InChI=1S/C12H22OSi/c1-6-8-9-10-12(11(13)7-2)14(3,4)5/h7,10H,2,6,8-9H2,1,3-5H3/b12-10-.
What are the key properties of (4Z)-4-trimethylsilylnona-1,4-dien-3-one?
(4Z)-4-trimethylsilylnona-1,4-dien-3-one has a molecular weight of 210.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-trimethylsilylnona-1,4-dien-3-one is sourced from PubChem (CID 121011109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).