(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol

C18H30OSi — CID 135041845

IUPAC(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
SMILESC=CCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8,15-19H,1,9,12H2,2-7H3/t18-/m1/s1
InChIKeyJXQYDQUYKJPCAI-GOSISDBHSA-N
MW290.52 g/mol
LogP4.54
Rot. Bonds6

About (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol

(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol (PubChem CID 135041845) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol.

Molecular Properties

Compound Name(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
PubChem CID135041845
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
SMILESC=CCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8,15-19H,1,9,12H2,2-7H3/t18-/m1/s1
InChIKeyJXQYDQUYKJPCAI-GOSISDBHSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 54.54
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 (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
The IUPAC name of (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol (CID 135041845) is (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol.
What is the SMILES notation for (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
The canonical SMILES for (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol is C=CCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
The InChIKey is JXQYDQUYKJPCAI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30OSi/c1-8-9-12-18(19)13-10-11-14-20(15(2)3,16(4)5)17(6)7/h8,15-19H,1,9,12H2,2-7H3/t18-/m1/s1.
What are the key properties of (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol has a molecular weight of 290.52 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol is sourced from PubChem (CID 135041845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).