tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane

C22H42Si — CID 135060715

IUPACtri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane
SMILESCCCCCCCC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-23(20(2)3,21(4)5)22(6)7/h15-16,20-22H,8-14,17H2,1-7H3/b16-15-
InChIKeyQHDBTLIWEAOSGC-NXVVXOECSA-N
MW334.66 g/mol
LogP7.90
Rot. Bonds11

About tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane

tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane (PubChem CID 135060715) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane
PubChem CID135060715
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Nametri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane
SMILESCCCCCCCC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-23(20(2)3,21(4)5)22(6)7/h15-16,20-22H,8-14,17H2,1-7H3/b16-15-
InChIKeyQHDBTLIWEAOSGC-NXVVXOECSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.66
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane (CID 135060715) is tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane is CCCCCCCC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane?
The InChIKey is QHDBTLIWEAOSGC-NXVVXOECSA-N. The full InChI is InChI=1S/C22H42Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-23(20(2)3,21(4)5)22(6)7/h15-16,20-22H,8-14,17H2,1-7H3/b16-15-.
What are the key properties of tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane?
tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane has a molecular weight of 334.66 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(Z)-tridec-4-en-1-ynyl]silane is sourced from PubChem (CID 135060715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).