5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol

C16H30O2Si — CID 102108647

IUPAC5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol
SMILESC#CC(CC(O)C=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-9-15(17)11-16(10-2)18-19(12(3)4,13(5)6)14(7)8/h2,9,12-17H,1,11H2,3-8H3
InChIKeyDLHFOUZLMIBFPA-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.12
Rot. Bonds8

About 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol

5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol (PubChem CID 102108647) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol
PubChem CID102108647
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol
SMILESC#CC(CC(O)C=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-9-15(17)11-16(10-2)18-19(12(3)4,13(5)6)14(7)8/h2,9,12-17H,1,11H2,3-8H3
InChIKeyDLHFOUZLMIBFPA-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

hept-1-en-6-yne-3,5-diol
CID 72965032
oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
(3S)-5-methyloct-1-en-7-yn-3-ol
CID 170044483
(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol
CID 11233116
(3R,5R)-hepta-1,6-diene-3,5-diol
CID 11480453
(2R,3S)-2-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
CID 101145508
(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol
CID 11738553
[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 24879566
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
1-tri(propan-2-yl)silyloxyethanol
CID 87610616
5-(methylamino)hex-1-en-3-ol
CID 143813054
tri(propan-2-yl)-undec-1-en-6-yn-5-yloxysilane
CID 15638524

Frequently Asked Questions

What is the IUPAC name of 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol?
The IUPAC name of 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol (CID 102108647) is 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol.
What is the SMILES notation for 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol?
The canonical SMILES for 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol is C#CC(CC(O)C=C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol?
The InChIKey is DLHFOUZLMIBFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-15(17)11-16(10-2)18-19(12(3)4,13(5)6)14(7)8/h2,9,12-17H,1,11H2,3-8H3.
What are the key properties of 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol?
5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol has a molecular weight of 282.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol is sourced from PubChem (CID 102108647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).