(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one

C15H28O2Si — CID 134966593

IUPAC(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one
SMILESC=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)C(=O)CC
InChIInChI=1S/C15H28O2Si/c1-8-10-11-12(3)15(17-18(5,6)7)13(4)14(16)9-2/h8,10-13,15H,1,9H2,2-7H3/b11-10-/t12-,13-,15-/m0/s1
InChIKeyFARVQYAZOSEJMX-RGAVQUESSA-N
MW268.47 g/mol
LogP4.20
Rot. Bonds8

About (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one

(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one (PubChem CID 134966593) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one.

Molecular Properties

Compound Name(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one
PubChem CID134966593
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one
SMILESC=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)C(=O)CC
InChIInChI=1S/C15H28O2Si/c1-8-10-11-12(3)15(17-18(5,6)7)13(4)14(16)9-2/h8,10-13,15H,1,9H2,2-7H3/b11-10-/t12-,13-,15-/m0/s1
InChIKeyFARVQYAZOSEJMX-RGAVQUESSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5S,7R,8E,10E,13R,14Z)-15-iodo-3,5,7,9,13-pentamethyl-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14-trien-6-one
CID 11467680
7-Trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
CID 13084898
(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
CID 135004381
5-Hepta-3,5-dienoxy-2-methylheptan-3-one
CID 58652519
(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one
CID 10945532
(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one
CID 10946008
(4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-7-en-3-one
CID 11208379
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
CID 11580075
(4S,5S,6R)-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
CID 11659225
(4R,5S,6R)-6-deuterio-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
CID 11673640
(4R,5S,6R)-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
CID 11808226
(4R,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoct-7-en-3-one
CID 12167527

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one?
The IUPAC name of (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one (CID 134966593) is (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one.
What is the SMILES notation for (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one?
The canonical SMILES for (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one is C=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)C(=O)CC.
What is the InChIKey of (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one?
The InChIKey is FARVQYAZOSEJMX-RGAVQUESSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-10-11-12(3)15(17-18(5,6)7)13(4)14(16)9-2/h8,10-13,15H,1,9H2,2-7H3/b11-10-/t12-,13-,15-/m0/s1.
What are the key properties of (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one?
(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one has a molecular weight of 268.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one is sourced from PubChem (CID 134966593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).