(5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane

C20H38OSi — CID 71403205

IUPAC(5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane
SMILESCC=C(C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C20H38OSi/c1-10-12-20(15-19(9)11-2)13-14-21-22(16(3)4,17(5)6)18(7)8/h11,16-18,20H,10,12,15H2,1-9H3
InChIKeySPNXEJPNRJFGLS-UHFFFAOYSA-N
MW322.61 g/mol
LogP6.91
Rot. Bonds8

About (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane

(5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane (PubChem CID 71403205) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane
PubChem CID71403205
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane
SMILESCC=C(C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C20H38OSi/c1-10-12-20(15-19(9)11-2)13-14-21-22(16(3)4,17(5)6)18(7)8/h11,16-18,20H,10,12,15H2,1-9H3
InChIKeySPNXEJPNRJFGLS-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.91
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 (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane?
The IUPAC name of (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane (CID 71403205) is (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane?
The canonical SMILES for (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane is CC=C(C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC.
What is the InChIKey of (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane?
The InChIKey is SPNXEJPNRJFGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-10-12-20(15-19(9)11-2)13-14-21-22(16(3)4,17(5)6)18(7)8/h11,16-18,20H,10,12,15H2,1-9H3.
What are the key properties of (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane?
(5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-propylhept-5-en-1-ynoxy)-tri(propan-2-yl)silane is sourced from PubChem (CID 71403205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).