(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol

C14H28O2Si — CID 140815551

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol
SMILESCC#C[C@](C)(O)[C@@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-11-14(6,15)12(10-2)16-17(7,8)13(3,4)5/h12,15H,10H2,1-8H3/t12-,14+/m1/s1
InChIKeyALZXMYZQKWVLCK-OCCSQVGLSA-N
MW256.46 g/mol
LogP3.56
Rot. Bonds4

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol (PubChem CID 140815551) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol
PubChem CID140815551
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol
SMILESCC#C[C@](C)(O)[C@@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-11-14(6,15)12(10-2)16-17(7,8)13(3,4)5/h12,15H,10H2,1-8H3/t12-,14+/m1/s1
InChIKeyALZXMYZQKWVLCK-OCCSQVGLSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.56
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 (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol (CID 140815551) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol is CC#C[C@](C)(O)[C@@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol?
The InChIKey is ALZXMYZQKWVLCK-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-11-14(6,15)12(10-2)16-17(7,8)13(3,4)5/h12,15H,10H2,1-8H3/t12-,14+/m1/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol has a molecular weight of 256.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-4-ol is sourced from PubChem (CID 140815551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).