(6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol

C12H20ClIOSi — CID 140893825

IUPAC(6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol
SMILESC=C(I)C[C@H](Cl)CCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C12H20ClIOSi/c1-10(14)9-11(13)5-6-12(15)7-8-16(2,3)4/h11-12,15H,1,5-6,9H2,2-4H3/t11-,12?/m1/s1
InChIKeyNODKIOOPTCJYMS-JHJMLUEUSA-N
MW370.73 g/mol
LogP3.95
Rot. Bonds5

About (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol

(6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol (PubChem CID 140893825) has the molecular formula C12H20ClIOSi and a molecular weight of 370.73 g/mol. Its IUPAC name is (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol.

Molecular Properties

Compound Name(6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol
PubChem CID140893825
Molecular FormulaC12H20ClIOSi
Molecular Weight370.73 g/mol
Exact Mass370.00
IUPAC Name(6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol
SMILESC=C(I)C[C@H](Cl)CCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C12H20ClIOSi/c1-10(14)9-11(13)5-6-12(15)7-8-16(2,3)4/h11-12,15H,1,5-6,9H2,2-4H3/t11-,12?/m1/s1
InChIKeyNODKIOOPTCJYMS-JHJMLUEUSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol?
The IUPAC name of (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol (CID 140893825) is (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol.
What is the SMILES notation for (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol?
The canonical SMILES for (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol is C=C(I)C[C@H](Cl)CCC(O)C#C[Si](C)(C)C.
What is the InChIKey of (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol?
The InChIKey is NODKIOOPTCJYMS-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H20ClIOSi/c1-10(14)9-11(13)5-6-12(15)7-8-16(2,3)4/h11-12,15H,1,5-6,9H2,2-4H3/t11-,12?/m1/s1.
What are the key properties of (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol?
(6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol has a molecular weight of 370.73 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-chloro-8-iodo-1-trimethylsilylnon-8-en-1-yn-3-ol is sourced from PubChem (CID 140893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).