(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol

C19H32OSi — CID 135019971

IUPAC(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol
SMILESC=CCCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H32OSi/c1-8-9-10-13-19(20)14-11-12-15-21(16(2)3,17(4)5)18(6)7/h8,16-20H,1,9-10,13H2,2-7H3/t19-/m1/s1
InChIKeyMYWQDDYKCZUGLY-LJQANCHMSA-N
MW304.55 g/mol
LogP4.93
Rot. Bonds7

About (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol

(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol (PubChem CID 135019971) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol.

Molecular Properties

Compound Name(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol
PubChem CID135019971
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol
SMILESC=CCCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H32OSi/c1-8-9-10-13-19(20)14-11-12-15-21(16(2)3,17(4)5)18(6)7/h8,16-20H,1,9-10,13H2,2-7H3/t19-/m1/s1
InChIKeyMYWQDDYKCZUGLY-LJQANCHMSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

(E)-1-trimethylsilyloct-1-en-4-ol
CID 10584209
(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
CID 10921159
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol
CID 42636689
(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 44550535
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
3-Trimethylsilyloct-1-en-4-ol
CID 134905429
(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
CID 135019970
(5R)-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
CID 135041845
(7z,11z)-1,18-Bis(trimethylsilyl)octadeca-7,11-diene1,17-diyne-3,16-diol
CID 168011472
5-(Trimethylsilyl)-6-hepten-2-ol
CID 365972

Frequently Asked Questions

What is the IUPAC name of (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol?
The IUPAC name of (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol (CID 135019971) is (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol.
What is the SMILES notation for (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol?
The canonical SMILES for (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol is C=CCCC[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)silyldec-9-en-1,3-diyn-5-ol?
The InChIKey is MYWQDDYKCZUGLY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32OSi/c1-8-9-10-13-19(20)14-11-12-15-21(16(2)3,17(4)5)18(6)7/h8,16-20H,1,9-10,13H2,2-7H3/t19-/m1/s1.
What are the key properties of (5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol?
(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol has a molecular weight of 304.55 g/mol, XLogP of 4.93, 7 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)silyldec-9-en-1,3-diyn-5-ol is sourced from PubChem (CID 135019971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).