(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol

C17H30OSi — CID 10850251

IUPAC(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCC[C@@H](O)[C@@H](C#C[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H30OSi/c1-5-6-12-17(18)16(13-14-19(2,3)4)15-10-8-7-9-11-15/h10,16-18H,5-9,11-12H2,1-4H3/t16-,17+/m0/s1
InChIKeyQXNBDDMVTGRJCL-DLBZAZTESA-N
MW278.51 g/mol
LogP4.53
Rot. Bonds5

About (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol

(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol (PubChem CID 10850251) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol
PubChem CID10850251
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCC[C@@H](O)[C@@H](C#C[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H30OSi/c1-5-6-12-17(18)16(13-14-19(2,3)4)15-10-8-7-9-11-15/h10,16-18H,5-9,11-12H2,1-4H3/t16-,17+/m0/s1
InChIKeyQXNBDDMVTGRJCL-DLBZAZTESA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.53
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 (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol?
The IUPAC name of (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol (CID 10850251) is (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol.
What is the SMILES notation for (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol?
The canonical SMILES for (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol is CCCC[C@@H](O)[C@@H](C#C[Si](C)(C)C)C1=CCCCC1.
What is the InChIKey of (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol?
The InChIKey is QXNBDDMVTGRJCL-DLBZAZTESA-N. The full InChI is InChI=1S/C17H30OSi/c1-5-6-12-17(18)16(13-14-19(2,3)4)15-10-8-7-9-11-15/h10,16-18H,5-9,11-12H2,1-4H3/t16-,17+/m0/s1.
What are the key properties of (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol?
(3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol has a molecular weight of 278.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(cyclohexen-1-yl)-1-trimethylsilyloct-1-yn-4-ol is sourced from PubChem (CID 10850251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).