(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol

C11H26O2Si — CID 173123768

IUPAC(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C([C@@H](O)O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-8(2)9(11(3,4)5)10(12)13-14(6)7/h8-10,12,14H,1-7H3/t9?,10-/m0/s1
InChIKeyHIXSUTPMOBVKLO-AXDSSHIGSA-N
MW218.41 g/mol
LogP2.62
Rot. Bonds4

About (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol

(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol (PubChem CID 173123768) has the molecular formula C11H26O2Si and a molecular weight of 218.41 g/mol. Its IUPAC name is (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol.

Molecular Properties

Compound Name(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol
PubChem CID173123768
Molecular FormulaC11H26O2Si
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C([C@@H](O)O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-8(2)9(11(3,4)5)10(12)13-14(6)7/h8-10,12,14H,1-7H3/t9?,10-/m0/s1
InChIKeyHIXSUTPMOBVKLO-AXDSSHIGSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-dimethylsilyloxy-4,5,5-trimethylhexan-1-ol
CID 173147823
3-dimethylsilyloxy-4,4-dimethylpentan-2-one
CID 173030101
(3-dimethylsilyloxy-3-methylbutan-2-yl)-trimethylsilane
CID 123565630
4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
CID 173343952
butane-1,4-diol;2,2-dimethylpropane-1,1-diol
CID 141408559
magnesium;carbanide;dimethyl(propan-2-yloxy)silane;chloride
CID 161140488
dimethyl-[2,4,5-tris(dimethylsilyloxy)hexan-3-yloxy]silane
CID 58280853
azane;dimethylsilyl 2-hydroxypropanoate
CID 173286242
propan-2-yl (2R)-2,3,3-trimethylbutanoate
CID 59132044
lithium 2,2-dimethylhexan-3-yloxy(dimethyl)silane
CID 175146660
tert-butyl(dimethyl)silane
CID 5072427
tetrakis(propan-2-ol);thulium
CID 174050117

Frequently Asked Questions

What is the IUPAC name of (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol?
The IUPAC name of (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol (CID 173123768) is (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol.
What is the SMILES notation for (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol?
The canonical SMILES for (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol is CC(C)C([C@@H](O)O[SiH](C)C)C(C)(C)C.
What is the InChIKey of (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol?
The InChIKey is HIXSUTPMOBVKLO-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H26O2Si/c1-8(2)9(11(3,4)5)10(12)13-14(6)7/h8-10,12,14H,1-7H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol?
(1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol has a molecular weight of 218.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-dimethylsilyloxy-3,3-dimethyl-2-propan-2-ylbutan-1-ol is sourced from PubChem (CID 173123768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).