(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one

C20H34O2Si — CID 134885224

IUPAC(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one
SMILESC=CC(=O)CCC/C(C)=C/C(=C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-10-18(21)13-11-12-17(4)15-19(14-16(2)3)22-23(8,9)20(5,6)7/h10,15H,1,11-13H2,2-9H3/b17-15+
InChIKeyVLLRVRASWUMNAW-BMRADRMJSA-N
MW334.58 g/mol
LogP6.33
Rot. Bonds8

About (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one

(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one (PubChem CID 134885224) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one.

Molecular Properties

Compound Name(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one
PubChem CID134885224
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one
SMILESC=CC(=O)CCC/C(C)=C/C(=C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-10-18(21)13-11-12-17(4)15-19(14-16(2)3)22-23(8,9)20(5,6)7/h10,15H,1,11-13H2,2-9H3/b17-15+
InChIKeyVLLRVRASWUMNAW-BMRADRMJSA-N
XLogP6.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

(4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-one
CID 23726369
tri(propan-2-yl)silyl (E,2Z)-2-(2-oxopropylidene)hexadec-3-enoate
CID 101887384
(7E)-9-[tert-butyl(dimethyl)silyl]oxy-2,11-dimethyldodeca-1,7,9,10-tetraen-3-one
CID 135049523
2-[(4E)-6-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienyl]cyclohepta-2,4,6-trien-1-one
CID 135076130
11-[Tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
CID 173373978
(6E,8E,10Z)-2-methyl-10-(trimethylsilylmethyl)dodeca-1,6,8,10-tetraen-3-one
CID 10492748
2-[(4Z)-5-triethylsilyloxyhepta-4,6-dienyl]cyclohepta-2,4,6-trien-1-one
CID 10830305
(3Z,9E,11E)-2-[tert-butyl(dimethyl)silyl]oxytrideca-3,9,11-trien-5-one
CID 11809458
(6Z,8E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]undeca-1,6,8-trien-3-one
CID 16107001
2,4-Dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 101063553
(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one
CID 102002602
(2Z,8Z,10E)-7-[tert-butyl(dimethyl)silyl]oxy-3,11-dimethylcyclotetradeca-2,8,10-trien-1-one
CID 177620930

Frequently Asked Questions

What is the IUPAC name of (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one?
The IUPAC name of (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one (CID 134885224) is (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one.
What is the SMILES notation for (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one?
The canonical SMILES for (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one is C=CC(=O)CCC/C(C)=C/C(=C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one?
The InChIKey is VLLRVRASWUMNAW-BMRADRMJSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-10-18(21)13-11-12-17(4)15-19(14-16(2)3)22-23(8,9)20(5,6)7/h10,15H,1,11-13H2,2-9H3/b17-15+.
What are the key properties of (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one?
(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one has a molecular weight of 334.58 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one is sourced from PubChem (CID 134885224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).