tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane

C19H36OSi — CID 10968867

IUPACtri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
SMILESC=CC[C@@H](C#CO[Si](C(C)C)(C(C)C)C(C)C)CCCC
InChIInChI=1S/C19H36OSi/c1-9-11-13-19(12-10-2)14-15-20-21(16(3)4,17(5)6)18(7)8/h10,16-19H,2,9,11-13H2,1,3-8H3/t19-/m1/s1
InChIKeyITLUFGAEISREKE-LJQANCHMSA-N
MW308.58 g/mol
LogP6.52
Rot. Bonds9

About tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane

tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane (PubChem CID 10968867) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
PubChem CID10968867
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
SMILESC=CC[C@@H](C#CO[Si](C(C)C)(C(C)C)C(C)C)CCCC
InChIInChI=1S/C19H36OSi/c1-9-11-13-19(12-10-2)14-15-20-21(16(3)4,17(5)6)18(7)8/h10,16-19H,2,9,11-13H2,1,3-8H3/t19-/m1/s1
InChIKeyITLUFGAEISREKE-LJQANCHMSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.52
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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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane (CID 10968867) is tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane is C=CC[C@@H](C#CO[Si](C(C)C)(C(C)C)C(C)C)CCCC.
What is the InChIKey of tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane?
The InChIKey is ITLUFGAEISREKE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H36OSi/c1-9-11-13-19(12-10-2)14-15-20-21(16(3)4,17(5)6)18(7)8/h10,16-19H,2,9,11-13H2,1,3-8H3/t19-/m1/s1.
What are the key properties of tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane?
tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane has a molecular weight of 308.58 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane is sourced from PubChem (CID 10968867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).