3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane

C17H32OSi — CID 102289114

IUPAC3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane
SMILESC=C(C)CC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-13(2)12-17(9)10-11-18-19(14(3)4,15(5)6)16(7)8/h14-17H,1,12H2,2-9H3
InChIKeyVPFBGDSLGJNHBU-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.74
Rot. Bonds6

About 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane

3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane (PubChem CID 102289114) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane
PubChem CID102289114
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane
SMILESC=C(C)CC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-13(2)12-17(9)10-11-18-19(14(3)4,15(5)6)16(7)8/h14-17H,1,12H2,2-9H3
InChIKeyVPFBGDSLGJNHBU-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
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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Related Compounds

tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
4-(2-Methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
CID 11324238
Trimethyl-[2-methylidene-4-[2-tri(propan-2-yl)silyloxyethynyl]heptyl]silane
CID 11474488
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane
CID 101352754
tert-butyl-dimethyl-[(6R)-6-prop-1-en-2-yldeca-1,2-dien-8-yn-3-yl]oxysilane
CID 102486594

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane (CID 102289114) is 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane is C=C(C)CC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane?
The InChIKey is VPFBGDSLGJNHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13(2)12-17(9)10-11-18-19(14(3)4,15(5)6)16(7)8/h14-17H,1,12H2,2-9H3.
What are the key properties of 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane?
3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane has a molecular weight of 280.53 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102289114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).