(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one

C19H38O3Si — CID 10882440

IUPAC(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one
SMILESC/C=C/[C@@H](O[Si](CC)(CC)C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C
InChIInChI=1S/C19H38O3Si/c1-9-12-19(22-23(10-2,11-3)15(6)7)16(8)18(21)13-17(20)14(4)5/h9,12,14-16,18-19,21H,10-11,13H2,1-8H3/b12-9+/t16-,18+,19+/m0/s1
InChIKeyBPRMUNBBXYVZOS-PEBYCBLQSA-N
MW342.60 g/mol
LogP4.96
Rot. Bonds11

About (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one

(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one (PubChem CID 10882440) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one.

Molecular Properties

Compound Name(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one
PubChem CID10882440
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one
SMILESC/C=C/[C@@H](O[Si](CC)(CC)C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C
InChIInChI=1S/C19H38O3Si/c1-9-12-19(22-23(10-2,11-3)15(6)7)16(8)18(21)13-17(20)14(4)5/h9,12,14-16,18-19,21H,10-11,13H2,1-8H3/b12-9+/t16-,18+,19+/m0/s1
InChIKeyBPRMUNBBXYVZOS-PEBYCBLQSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.96
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
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoyl]cyclopentan-1-one
CID 11529682
(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
2-[(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enoyl]cyclopentan-1-one
CID 44516375
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
CID 134904239
(4S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 134904240
(4R,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethyl-6-methylidenenonan-3-one
CID 134904560
(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

Frequently Asked Questions

What is the IUPAC name of (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one?
The IUPAC name of (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one (CID 10882440) is (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one.
What is the SMILES notation for (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one?
The canonical SMILES for (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one is C/C=C/[C@@H](O[Si](CC)(CC)C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C.
What is the InChIKey of (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one?
The InChIKey is BPRMUNBBXYVZOS-PEBYCBLQSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-12-19(22-23(10-2,11-3)15(6)7)16(8)18(21)13-17(20)14(4)5/h9,12,14-16,18-19,21H,10-11,13H2,1-8H3/b12-9+/t16-,18+,19+/m0/s1.
What are the key properties of (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one?
(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one has a molecular weight of 342.60 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one is sourced from PubChem (CID 10882440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).