(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol

C11H22OSi — CID 101162766

IUPAC(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-9(2)11(12)10(3)7-8-13(4,5)6/h9-12H,1-6H3/t10-,11+/m0/s1
InChIKeyORPXQOYEJFMGGP-WDEREUQCSA-N
MW198.38 g/mol
LogP2.52
Rot. Bonds2

About (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol

(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 101162766) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID101162766
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-9(2)11(12)10(3)7-8-13(4,5)6/h9-12H,1-6H3/t10-,11+/m0/s1
InChIKeyORPXQOYEJFMGGP-WDEREUQCSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.52
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 (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol (CID 101162766) is (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol is CC(C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is ORPXQOYEJFMGGP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22OSi/c1-9(2)11(12)10(3)7-8-13(4,5)6/h9-12H,1-6H3/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 198.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 101162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).