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

C19H36OSi — CID 71403487

IUPAC(5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane
SMILESC=C(C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C19H36OSi/c1-10-11-19(14-15(2)3)12-13-20-21(16(4)5,17(6)7)18(8)9/h16-19H,2,10-11,14H2,1,3-9H3
InChIKeyRMZVPSAQBQPTET-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.52
Rot. Bonds8

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

(5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane (PubChem CID 71403487) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane
PubChem CID71403487
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name(5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane
SMILESC=C(C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C19H36OSi/c1-10-11-19(14-15(2)3)12-13-20-21(16(4)5,17(6)7)18(8)9/h16-19H,2,10-11,14H2,1,3-9H3
InChIKeyRMZVPSAQBQPTET-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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 (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane?
The IUPAC name of (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane (CID 71403487) is (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane?
The canonical SMILES for (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane is C=C(C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC.
What is the InChIKey of (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane?
The InChIKey is RMZVPSAQBQPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-10-11-19(14-15(2)3)12-13-20-21(16(4)5,17(6)7)18(8)9/h16-19H,2,10-11,14H2,1,3-9H3.
What are the key properties of (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane?
(5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane has a molecular weight of 308.58 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane is sourced from PubChem (CID 71403487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).