(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol

C18H34OSi — CID 101463801

IUPAC(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol
SMILESC=CCC[C@H](O)CCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8,15-19H,1,9-10,12-13H2,2-7H3/t18-/m0/s1
InChIKeyLWWDSGRHUYGLHB-SFHVURJKSA-N
MW294.56 g/mol
LogP5.32
Rot. Bonds8

About (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol

(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol (PubChem CID 101463801) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol.

Molecular Properties

Compound Name(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol
PubChem CID101463801
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol
SMILESC=CCC[C@H](O)CCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8,15-19H,1,9-10,12-13H2,2-7H3/t18-/m0/s1
InChIKeyLWWDSGRHUYGLHB-SFHVURJKSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.32
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 (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol?
The IUPAC name of (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol (CID 101463801) is (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol.
What is the SMILES notation for (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol?
The canonical SMILES for (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol is C=CCC[C@H](O)CCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol?
The InChIKey is LWWDSGRHUYGLHB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8,15-19H,1,9-10,12-13H2,2-7H3/t18-/m0/s1.
What are the key properties of (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol?
(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol has a molecular weight of 294.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol is sourced from PubChem (CID 101463801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).