(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol

C11H22OSi — CID 166439057

IUPAC(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
SMILESCC#C[C@@H]([C@@H](O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-10(13(4,5)6)11(12)9(2)3/h9-12H,1-6H3/t10-,11-/m0/s1
InChIKeyFUXDTHWSOBNUQD-QWRGUYRKSA-N
MW198.38 g/mol
LogP2.73
Rot. Bonds3

About (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol

(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol (PubChem CID 166439057) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol.

Molecular Properties

Compound Name(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
PubChem CID166439057
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
SMILESCC#C[C@@H]([C@@H](O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-10(13(4,5)6)11(12)9(2)3/h9-12H,1-6H3/t10-,11-/m0/s1
InChIKeyFUXDTHWSOBNUQD-QWRGUYRKSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.73
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,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol?
The IUPAC name of (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol (CID 166439057) is (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol.
What is the SMILES notation for (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol?
The canonical SMILES for (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol is CC#C[C@@H]([C@@H](O)C(C)C)[Si](C)(C)C.
What is the InChIKey of (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol?
The InChIKey is FUXDTHWSOBNUQD-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22OSi/c1-7-8-10(13(4,5)6)11(12)9(2)3/h9-12H,1-6H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol?
(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol has a molecular weight of 198.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol is sourced from PubChem (CID 166439057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).