(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol

C13H30O2Si — CID 15838479

IUPAC(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol
SMILESC[C@H](CO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-12(11-14)9-7-8-10-15-16(5,6)13(2,3)4/h12,14H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyKHSHOIVSAPWKAC-LBPRGKRZSA-N
MW246.47 g/mol
LogP3.81
Rot. Bonds7

About (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol

(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol (PubChem CID 15838479) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol
PubChem CID15838479
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol
SMILESC[C@H](CO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-12(11-14)9-7-8-10-15-16(5,6)13(2,3)4/h12,14H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyKHSHOIVSAPWKAC-LBPRGKRZSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol?
The IUPAC name of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol (CID 15838479) is (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol.
What is the SMILES notation for (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol?
The canonical SMILES for (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol is C[C@H](CO)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol?
The InChIKey is KHSHOIVSAPWKAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-12(11-14)9-7-8-10-15-16(5,6)13(2,3)4/h12,14H,7-11H2,1-6H3/t12-/m0/s1.
What are the key properties of (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol?
(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol has a molecular weight of 246.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-1-ol is sourced from PubChem (CID 15838479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).