(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one

C17H34O3Si — CID 134904239

IUPAC(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
SMILESC/C=C/[C@@H](CC(=O)C[C@@H](O)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-10-15(20-21(7,8)17(4,5)6)11-14(18)12-16(19)13(2)3/h9-10,13,15-16,19H,11-12H2,1-8H3/b10-9+/t15-,16+/m0/s1
InChIKeyMVWMNMILRVGAOL-DMGQIGSTSA-N
MW314.54 g/mol
LogP4.32
Rot. Bonds8

About (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one

(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one (PubChem CID 134904239) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one.

Molecular Properties

Compound Name(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
PubChem CID134904239
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
SMILESC/C=C/[C@@H](CC(=O)C[C@@H](O)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-10-15(20-21(7,8)17(4,5)6)11-14(18)12-16(19)13(2)3/h9-10,13,15-16,19H,11-12H2,1-8H3/b10-9+/t15-,16+/m0/s1
InChIKeyMVWMNMILRVGAOL-DMGQIGSTSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471931
(3R,4R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyl-8-methylidenedec-1-en-5-one
CID 10450816
(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
CID 11703131
(3aR,4R,6S,9E,12aR)-4-hydroxy-6,12a-dimethyl-8-triethylsilyloxy-1,2,3a,4,5,6,7,8,11,12-decahydrocyclopenta[11]annulen-3-one
CID 25112425
2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 44516075
(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 134930532
(E,2S,5R)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 134930533
(2E,4R,6S,7S,8E,10S,11R,12S)-1,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-2,4,6,8,10,12-hexamethyldocosa-2,8-dien-5-one
CID 134940134
(2R,5S,6R,9R)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-2,6-dimethyltetradec-13-en-7-one
CID 134948846
2-[(E,2S,3S)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 135019354
2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019853
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019914

Frequently Asked Questions

What is the IUPAC name of (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one?
The IUPAC name of (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one (CID 134904239) is (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one.
What is the SMILES notation for (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one?
The canonical SMILES for (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one is C/C=C/[C@@H](CC(=O)C[C@@H](O)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one?
The InChIKey is MVWMNMILRVGAOL-DMGQIGSTSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-10-15(20-21(7,8)17(4,5)6)11-14(18)12-16(19)13(2)3/h9-10,13,15-16,19H,11-12H2,1-8H3/b10-9+/t15-,16+/m0/s1.
What are the key properties of (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one?
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one has a molecular weight of 314.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one is sourced from PubChem (CID 134904239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).