(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol

C11H20OSi — CID 72793130

IUPAC(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol
SMILESC=CC[C@@H](C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h6,10-12H,1,7H2,2-5H3/t10-,11-/m1/s1
InChIKeyGPCZCLZTBWCBOF-GHMZBOCLSA-N
MW196.37 g/mol
LogP2.44
Rot. Bonds3

About (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol

(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol (PubChem CID 72793130) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol
PubChem CID72793130
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol
SMILESC=CC[C@@H](C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h6,10-12H,1,7H2,2-5H3/t10-,11-/m1/s1
InChIKeyGPCZCLZTBWCBOF-GHMZBOCLSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol?
The IUPAC name of (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol (CID 72793130) is (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol.
What is the SMILES notation for (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol?
The canonical SMILES for (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol is C=CC[C@@H](C)[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol?
The InChIKey is GPCZCLZTBWCBOF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h6,10-12H,1,7H2,2-5H3/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol?
(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol has a molecular weight of 196.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol is sourced from PubChem (CID 72793130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).