tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane

C30H38O2Si — CID 101216418

IUPACtert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C#Cc1ccccc1C#CCCCC1CCCCO1
InChIInChI=1S/C30H38O2Si/c1-30(2,3)33(4,5)32-29-21-12-11-18-27(29)23-22-26-17-10-9-16-25(26)15-7-6-8-19-28-20-13-14-24-31-28/h9-12,16-18,21,28H,6,8,13-14,19-20,24H2,1-5H3
InChIKeyKOPTUKUIFPKRGJ-UHFFFAOYSA-N
MW458.72 g/mol
LogP7.56
Rot. Bonds5

About tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane

tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane (PubChem CID 101216418) has the molecular formula C30H38O2Si and a molecular weight of 458.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane
PubChem CID101216418
Molecular FormulaC30H38O2Si
Molecular Weight458.72 g/mol
Exact Mass458.26
IUPAC Nametert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C#Cc1ccccc1C#CCCCC1CCCCO1
InChIInChI=1S/C30H38O2Si/c1-30(2,3)33(4,5)32-29-21-12-11-18-27(29)23-22-26-17-10-9-16-25(26)15-7-6-8-19-28-20-13-14-24-31-28/h9-12,16-18,21,28H,6,8,13-14,19-20,24H2,1-5H3
InChIKeyKOPTUKUIFPKRGJ-UHFFFAOYSA-N
XLogP7.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane (CID 101216418) is tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane is CC(C)(C)[Si](C)(C)Oc1ccccc1C#Cc1ccccc1C#CCCCC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane?
The InChIKey is KOPTUKUIFPKRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2Si/c1-30(2,3)33(4,5)32-29-21-12-11-18-27(29)23-22-26-17-10-9-16-25(26)15-7-6-8-19-28-20-13-14-24-31-28/h9-12,16-18,21,28H,6,8,13-14,19-20,24H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane?
tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane has a molecular weight of 458.72 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[2-[2-[5-(oxan-2-yl)pent-1-ynyl]phenyl]ethynyl]phenoxy]silane is sourced from PubChem (CID 101216418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).