tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane

C22H38OSi2 — CID 134970998

IUPACtert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
SMILESCC(C)[Si](C#CC#CC#CCO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi2/c1-19(2)25(20(3)4,21(5)6)18-16-14-12-13-15-17-23-24(10,11)22(7,8)9/h19-21H,17H2,1-11H3
InChIKeyHSKBPTFKEZGSFT-UHFFFAOYSA-N
MW374.72 g/mol
LogP6.24
Rot. Bonds5

About tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane

tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane (PubChem CID 134970998) has the molecular formula C22H38OSi2 and a molecular weight of 374.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
PubChem CID134970998
Molecular FormulaC22H38OSi2
Molecular Weight374.72 g/mol
Exact Mass374.25
IUPAC Nametert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
SMILESCC(C)[Si](C#CC#CC#CCO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi2/c1-19(2)25(20(3)4,21(5)6)18-16-14-12-13-15-17-23-24(10,11)22(7,8)9/h19-21H,17H2,1-11H3
InChIKeyHSKBPTFKEZGSFT-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propargyloxy-t-butyldimethylsilane
CID 3445622
Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-
CID 359338
2,2,7,7,9,9,14,14-Octamethyl-3,8,13-trioxa-2,7,9,14-tetrasilapentadecane
CID 87702
Trimethyl[4-[(trimethylsilyl)oxy]-1-butynyl]silane
CID 11745995
Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propynyl]trimethyl-
CID 10988471
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
1-t-Butyldimethylsilyloxy-5-trimethylsilyl-4-pentyne
CID 10923628
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
Tert-butyl-dimethyl-penta-2,4-diynoxysilane
CID 11252555
Tert-butyl-but-2-ynoxy-dimethylsilane
CID 11263895
Tert-butyl-dimethyl-pent-3-ynoxysilane
CID 11769487

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane (CID 134970998) is tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane is CC(C)[Si](C#CC#CC#CCO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane?
The InChIKey is HSKBPTFKEZGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38OSi2/c1-19(2)25(20(3)4,21(5)6)18-16-14-12-13-15-17-23-24(10,11)22(7,8)9/h19-21H,17H2,1-11H3.
What are the key properties of tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane?
tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane has a molecular weight of 374.72 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane is sourced from PubChem (CID 134970998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).