(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol

C12H21ClOSi — CID 11149240

IUPAC(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol
SMILESC=C(CCl)C[C@@H](O)CCC#C[Si](C)(C)C
InChIInChI=1S/C12H21ClOSi/c1-11(10-13)9-12(14)7-5-6-8-15(2,3)4/h12,14H,1,5,7,9-10H2,2-4H3/t12-/m0/s1
InChIKeyPRRWACIUOQOKDD-LBPRGKRZSA-N
MW244.84 g/mol
LogP3.19
Rot. Bonds5

About (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol

(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol (PubChem CID 11149240) has the molecular formula C12H21ClOSi and a molecular weight of 244.84 g/mol. Its IUPAC name is (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol.

Molecular Properties

Compound Name(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol
PubChem CID11149240
Molecular FormulaC12H21ClOSi
Molecular Weight244.84 g/mol
Exact Mass244.11
IUPAC Name(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol
SMILESC=C(CCl)C[C@@H](O)CCC#C[Si](C)(C)C
InChIInChI=1S/C12H21ClOSi/c1-11(10-13)9-12(14)7-5-6-8-15(2,3)4/h12,14H,1,5,7,9-10H2,2-4H3/t12-/m0/s1
InChIKeyPRRWACIUOQOKDD-LBPRGKRZSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.84
LogP ≤ 53.19
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': '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 (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol?
The IUPAC name of (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol (CID 11149240) is (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol.
What is the SMILES notation for (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol?
The canonical SMILES for (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol is C=C(CCl)C[C@@H](O)CCC#C[Si](C)(C)C.
What is the InChIKey of (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol?
The InChIKey is PRRWACIUOQOKDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21ClOSi/c1-11(10-13)9-12(14)7-5-6-8-15(2,3)4/h12,14H,1,5,7,9-10H2,2-4H3/t12-/m0/s1.
What are the key properties of (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol?
(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol has a molecular weight of 244.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol is sourced from PubChem (CID 11149240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).