(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol

C10H20O2Si — CID 11194997

IUPAC(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
SMILESCC[C@H](O)[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-5-9(11)10(12)7-6-8-13(2,3)4/h9-12H,5,7H2,1-4H3/t9-,10-/m0/s1
InChIKeyGVFPPYPKXHXYPT-UWVGGRQHSA-N
MW200.35 g/mol
LogP1.39
Rot. Bonds3

About (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol

(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol (PubChem CID 11194997) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
PubChem CID11194997
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
SMILESCC[C@H](O)[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-5-9(11)10(12)7-6-8-13(2,3)4/h9-12H,5,7H2,1-4H3/t9-,10-/m0/s1
InChIKeyGVFPPYPKXHXYPT-UWVGGRQHSA-N
XLogP1.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol?
The IUPAC name of (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol (CID 11194997) is (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol.
What is the SMILES notation for (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol?
The canonical SMILES for (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol is CC[C@H](O)[C@@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol?
The InChIKey is GVFPPYPKXHXYPT-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-5-9(11)10(12)7-6-8-13(2,3)4/h9-12H,5,7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol?
(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol has a molecular weight of 200.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol is sourced from PubChem (CID 11194997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).