3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane

C30H58OSi — CID 76793238

IUPAC3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCC=COCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H58OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-31-26-24-27-32(28(2)3,29(4)5)30(6)7/h23,25,28-30H,8-22,26H2,1-7H3
InChIKeyMZEUFUWILFZGKS-UHFFFAOYSA-N
MW462.88 g/mol
LogP10.61
Rot. Bonds20

About 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane

3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 76793238) has the molecular formula C30H58OSi and a molecular weight of 462.88 g/mol. Its IUPAC name is 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane
PubChem CID76793238
Molecular FormulaC30H58OSi
Molecular Weight462.88 g/mol
Exact Mass462.43
IUPAC Name3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCC=COCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H58OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-31-26-24-27-32(28(2)3,29(4)5)30(6)7/h23,25,28-30H,8-22,26H2,1-7H3
InChIKeyMZEUFUWILFZGKS-UHFFFAOYSA-N
XLogP10.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.88
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane (CID 76793238) is 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane is CCCCCCCCCCCCCCCCC=COCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is MZEUFUWILFZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58OSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-31-26-24-27-32(28(2)3,29(4)5)30(6)7/h23,25,28-30H,8-22,26H2,1-7H3.
What are the key properties of 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane?
3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 462.88 g/mol, XLogP of 10.61, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octadec-1-enoxyprop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 76793238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).