(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one

C17H30O2Si — CID 10469740

IUPAC(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one
SMILESC=CC/C(=C\[Si](C)(C)C)C(OC(C)(C)C)C(=O)/C=C/C
InChIInChI=1S/C17H30O2Si/c1-9-11-14(13-20(6,7)8)16(15(18)12-10-2)19-17(3,4)5/h9-10,12-13,16H,1,11H2,2-8H3/b12-10+,14-13+
InChIKeySVDDQXNBZSBLQG-HBKPYOMSSA-N
MW294.51 g/mol
LogP4.70
Rot. Bonds7

About (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one

(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one (PubChem CID 10469740) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one.

Molecular Properties

Compound Name(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one
PubChem CID10469740
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one
SMILESC=CC/C(=C\[Si](C)(C)C)C(OC(C)(C)C)C(=O)/C=C/C
InChIInChI=1S/C17H30O2Si/c1-9-11-14(13-20(6,7)8)16(15(18)12-10-2)19-17(3,4)5/h9-10,12-13,16H,1,11H2,2-8H3/b12-10+,14-13+
InChIKeySVDDQXNBZSBLQG-HBKPYOMSSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 11551778
(4R,5R)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919358
(4R,5S)-5-ethoxy-3,4-dimethyl-5-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919359
(4R,5R)-5-ethoxy-3,4-dimethyl-5-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919360
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
(6E)-6-methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 154327342
(2E,6E,8E)-5-[(2-methylpropan-2-yl)oxy]-6-prop-2-enyl-7-trimethylsilylundeca-2,6,8-trien-4-one
CID 9997919
tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate
CID 10047782
(2E,6Z)-6-[iodo(trimethylsilyl)methylidene]-5-[(2-methylpropan-2-yl)oxy]nona-2,8-dien-4-one
CID 10387408
ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate
CID 11278469
[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate
CID 11778438
2-methyl-5-[(E)-7-trimethylsilylhept-6-en-3-yl]oxycyclohexa-2,5-diene-1,4-dione
CID 102283013

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one?
The IUPAC name of (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one (CID 10469740) is (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one.
What is the SMILES notation for (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one?
The canonical SMILES for (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one is C=CC/C(=C\[Si](C)(C)C)C(OC(C)(C)C)C(=O)/C=C/C.
What is the InChIKey of (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one?
The InChIKey is SVDDQXNBZSBLQG-HBKPYOMSSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-9-11-14(13-20(6,7)8)16(15(18)12-10-2)19-17(3,4)5/h9-10,12-13,16H,1,11H2,2-8H3/b12-10+,14-13+.
What are the key properties of (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one?
(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one has a molecular weight of 294.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one is sourced from PubChem (CID 10469740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).