(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione

C17H34O3Si — CID 134838174

IUPAC(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
SMILESCCC(=O)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC
InChIInChI=1S/C17H34O3Si/c1-10-14(18)12(3)16(13(4)15(19)11-2)20-21(8,9)17(5,6)7/h12-13,16H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyUTDBKELBVRYSDQ-CHWSQXEVSA-N
MW314.54 g/mol
LogP4.61
Rot. Bonds8

About (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione

(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione (PubChem CID 134838174) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione.

Molecular Properties

Compound Name(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
PubChem CID134838174
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
SMILESCCC(=O)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC
InChIInChI=1S/C17H34O3Si/c1-10-14(18)12(3)16(13(4)15(19)11-2)20-21(8,9)17(5,6)7/h12-13,16H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyUTDBKELBVRYSDQ-CHWSQXEVSA-N
XLogP4.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
CID 11437650
(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 11715729
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 11821760
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
CID 56591109
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
CID 134830919
CID 134890037
CID 134890037
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione?
The IUPAC name of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione (CID 134838174) is (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione.
What is the SMILES notation for (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione?
The canonical SMILES for (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione is CCC(=O)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)CC.
What is the InChIKey of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione?
The InChIKey is UTDBKELBVRYSDQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-14(18)12(3)16(13(4)15(19)11-2)20-21(8,9)17(5,6)7/h12-13,16H,10-11H2,1-9H3/t12-,13-/m1/s1.
What are the key properties of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione?
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione has a molecular weight of 314.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione is sourced from PubChem (CID 134838174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).