(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol

C10H20OSi — CID 130831196

IUPAC(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-9(2)10(11)7-6-8-12(3,4)5/h9-11H,7H2,1-5H3/t10-/m0/s1
InChIKeyJPGOABXYZRGJPL-JTQLQIEISA-N
MW184.35 g/mol
LogP2.27
Rot. Bonds2

About (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol

(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 130831196) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID130831196
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-9(2)10(11)7-6-8-12(3,4)5/h9-11H,7H2,1-5H3/t10-/m0/s1
InChIKeyJPGOABXYZRGJPL-JTQLQIEISA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol (CID 130831196) is (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol is CC(C)[C@@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is JPGOABXYZRGJPL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20OSi/c1-9(2)10(11)7-6-8-12(3,4)5/h9-11H,7H2,1-5H3/t10-/m0/s1.
What are the key properties of (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol?
(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 184.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 130831196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).