(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol

C15H30O2Si — CID 135079167

IUPAC(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
SMILESCC#C[C@@H](C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-10-12(2)14(16)13(3)11-17-18(7,8)15(4,5)6/h12-14,16H,11H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeySMWITQJBWVQZQI-MGPQQGTHSA-N
MW270.49 g/mol
LogP3.66
Rot. Bonds5

About (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol

(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol (PubChem CID 135079167) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
PubChem CID135079167
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
SMILESCC#C[C@@H](C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-10-12(2)14(16)13(3)11-17-18(7,8)15(4,5)6/h12-14,16H,11H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeySMWITQJBWVQZQI-MGPQQGTHSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol?
The IUPAC name of (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol (CID 135079167) is (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol.
What is the SMILES notation for (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol?
The canonical SMILES for (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol is CC#C[C@@H](C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol?
The InChIKey is SMWITQJBWVQZQI-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-10-12(2)14(16)13(3)11-17-18(7,8)15(4,5)6/h12-14,16H,11H2,1-8H3/t12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol?
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol has a molecular weight of 270.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol is sourced from PubChem (CID 135079167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).