(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol

C10H18OSi — CID 44550535

IUPAC(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
SMILESC=CCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h5,10-11H,1,6-7H2,2-4H3/t10-/m0/s1
InChIKeyKUDGBYOGERKIEE-JTQLQIEISA-N
MW182.34 g/mol
LogP2.19
Rot. Bonds3

About (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol

(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol (PubChem CID 44550535) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
PubChem CID44550535
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
SMILESC=CCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h5,10-11H,1,6-7H2,2-4H3/t10-/m0/s1
InChIKeyKUDGBYOGERKIEE-JTQLQIEISA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.19
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)-1-trimethylsilylhept-6-en-1-yn-3-ol?
The IUPAC name of (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol (CID 44550535) is (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol.
What is the SMILES notation for (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol?
The canonical SMILES for (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol is C=CCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol?
The InChIKey is KUDGBYOGERKIEE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h5,10-11H,1,6-7H2,2-4H3/t10-/m0/s1.
What are the key properties of (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol?
(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol has a molecular weight of 182.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-trimethylsilylhept-6-en-1-yn-3-ol is sourced from PubChem (CID 44550535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).