(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol

C13H24OSi — CID 11736254

IUPAC(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol
SMILESC=CCCCC[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-5-6-7-8-10-13(14)11-9-12-15(2,3)4/h5,13-14H,1,6-8,10-11H2,2-4H3/t13-/m0/s1
InChIKeyPHZXAQRPGMUQRM-ZDUSSCGKSA-N
MW224.42 g/mol
LogP3.36
Rot. Bonds6

About (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol

(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol (PubChem CID 11736254) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol.

Molecular Properties

Compound Name(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol
PubChem CID11736254
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol
SMILESC=CCCCC[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-5-6-7-8-10-13(14)11-9-12-15(2,3)4/h5,13-14H,1,6-8,10-11H2,2-4H3/t13-/m0/s1
InChIKeyPHZXAQRPGMUQRM-ZDUSSCGKSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

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1-phenyltetradec-13-en-1-yn-4-ol
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1-bromooct-7-en-2-ol
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(3R)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
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5-trimethylsilylpent-4-yn-2-ol
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Frequently Asked Questions

What is the IUPAC name of (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol?
The IUPAC name of (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol (CID 11736254) is (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol.
What is the SMILES notation for (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol?
The canonical SMILES for (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol is C=CCCCC[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol?
The InChIKey is PHZXAQRPGMUQRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24OSi/c1-5-6-7-8-10-13(14)11-9-12-15(2,3)4/h5,13-14H,1,6-8,10-11H2,2-4H3/t13-/m0/s1.
What are the key properties of (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol?
(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol has a molecular weight of 224.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-trimethylsilyldec-9-en-1-yn-4-ol is sourced from PubChem (CID 11736254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).