(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol

C18H40O2Si — CID 132501473

IUPAC(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
SMILESCC(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC(C)(C)O
InChIInChI=1S/C18H40O2Si/c1-14(2)13-16(15(3)11-12-18(7,8)19)20-21(9,10)17(4,5)6/h14-16,19H,11-13H2,1-10H3/t15-,16-/m0/s1
InChIKeyJSRQBCYIXBBTSN-HOTGVXAUSA-N
MW316.60 g/mol
LogP5.61
Rot. Bonds8

About (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol

(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol (PubChem CID 132501473) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol.

Molecular Properties

Compound Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
PubChem CID132501473
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
SMILESCC(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC(C)(C)O
InChIInChI=1S/C18H40O2Si/c1-14(2)13-16(15(3)11-12-18(7,8)19)20-21(9,10)17(4,5)6/h14-16,19H,11-13H2,1-10H3/t15-,16-/m0/s1
InChIKeyJSRQBCYIXBBTSN-HOTGVXAUSA-N
XLogP5.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol 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

(5R)-2,5,6-trimethylheptan-2-ol
CID 10176245
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730
(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
CID 71664998
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid
CID 15469389
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
2,5-dimethylhexan-2-ol;ethene
CID 144803935
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
CID 87165682
methyl (2E,4E,6S,7S,10S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dienoate
CID 11069627

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol?
The IUPAC name of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol (CID 132501473) is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol.
What is the SMILES notation for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol?
The canonical SMILES for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol is CC(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC(C)(C)O.
What is the InChIKey of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol?
The InChIKey is JSRQBCYIXBBTSN-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-14(2)13-16(15(3)11-12-18(7,8)19)20-21(9,10)17(4,5)6/h14-16,19H,11-13H2,1-10H3/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol?
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol has a molecular weight of 316.60 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol is sourced from PubChem (CID 132501473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).