(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one

C17H34O3Si — CID 10245137

IUPAC(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one
SMILESCCCCCCCC[C@H](CC(=O)/C=C/OC)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-6-7-8-9-10-11-12-17(20-21(3,4)5)15-16(18)13-14-19-2/h13-14,17H,6-12,15H2,1-5H3/b14-13+/t17-/m1/s1
InChIKeyKGFBVLJQYCRINS-TUQDCPSNSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds13

About (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one

(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one (PubChem CID 10245137) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one.

Molecular Properties

Compound Name(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one
PubChem CID10245137
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one
SMILESCCCCCCCC[C@H](CC(=O)/C=C/OC)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-6-7-8-9-10-11-12-17(20-21(3,4)5)15-16(18)13-14-19-2/h13-14,17H,6-12,15H2,1-5H3/b14-13+/t17-/m1/s1
InChIKeyKGFBVLJQYCRINS-TUQDCPSNSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-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

(2R)-2-octyl-2,3-dihydropyran-4-one
CID 15204010
(2S)-2-heptyl-2,3-dihydropyran-4-one
CID 57164485
7-Triethylsilyloxyundec-1-en-3-one
CID 163288975
6-Triethylsilyloxytridec-1-en-3-one
CID 163288977
(E,5S)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
CID 10334096
(2S)-2-octyl-2,3-dihydropyran-4-one
CID 10465725
(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
CID 10902154
(2S)-2-hexyl-2,3-dihydropyran-4-one
CID 11535681
(2R)-2-heptyl-2,3-dihydropyran-4-one
CID 15444405
(2R)-2-Hexyl-2,3-dihydro-4H-pyran-4-one
CID 16093987
2-Heptyl-2,3-dihydro-4H-pyran-4-one
CID 19080255
2-Hexyl-2,3-dihydropyran-4-one
CID 64107048

Frequently Asked Questions

What is the IUPAC name of (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one?
The IUPAC name of (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one (CID 10245137) is (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one.
What is the SMILES notation for (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one?
The canonical SMILES for (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one is CCCCCCCC[C@H](CC(=O)/C=C/OC)O[Si](C)(C)C.
What is the InChIKey of (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one?
The InChIKey is KGFBVLJQYCRINS-TUQDCPSNSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-6-7-8-9-10-11-12-17(20-21(3,4)5)15-16(18)13-14-19-2/h13-14,17H,6-12,15H2,1-5H3/b14-13+/t17-/m1/s1.
What are the key properties of (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one?
(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one has a molecular weight of 314.54 g/mol, XLogP of 5.08, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one is sourced from PubChem (CID 10245137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).