hex-5-en-1-ynoxy-tri(propan-2-yl)silane

C15H28OSi — CID 11687472

IUPAChex-5-en-1-ynoxy-tri(propan-2-yl)silane
SMILESC=CCCC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-10-11-12-16-17(13(2)3,14(4)5)15(6)7/h8,13-15H,1,9-10H2,2-7H3
InChIKeyVNTNZIXKJMGNGS-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.11
Rot. Bonds6

About hex-5-en-1-ynoxy-tri(propan-2-yl)silane

hex-5-en-1-ynoxy-tri(propan-2-yl)silane (PubChem CID 11687472) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is hex-5-en-1-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namehex-5-en-1-ynoxy-tri(propan-2-yl)silane
PubChem CID11687472
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Namehex-5-en-1-ynoxy-tri(propan-2-yl)silane
SMILESC=CCCC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-10-11-12-16-17(13(2)3,14(4)5)15(6)7/h8,13-15H,1,9-10H2,2-7H3
InChIKeyVNTNZIXKJMGNGS-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hex-5-en-1-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of hex-5-en-1-ynoxy-tri(propan-2-yl)silane (CID 11687472) is hex-5-en-1-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for hex-5-en-1-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for hex-5-en-1-ynoxy-tri(propan-2-yl)silane is C=CCCC#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of hex-5-en-1-ynoxy-tri(propan-2-yl)silane?
The InChIKey is VNTNZIXKJMGNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-9-10-11-12-16-17(13(2)3,14(4)5)15(6)7/h8,13-15H,1,9-10H2,2-7H3.
What are the key properties of hex-5-en-1-ynoxy-tri(propan-2-yl)silane?
hex-5-en-1-ynoxy-tri(propan-2-yl)silane has a molecular weight of 252.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-1-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).