tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane

C30H42O2Si — CID 140893830

IUPACtert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
SMILESCCCCCCCc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C30H42O2Si/c1-5-6-7-8-11-17-26-23-24-27(32-26)18-16-25-31-33(30(2,3)4,28-19-12-9-13-20-28)29-21-14-10-15-22-29/h9-10,12-15,19-24H,5-8,11,16-18,25H2,1-4H3
InChIKeyDMAUGHHWEOUWAO-UHFFFAOYSA-N
MW462.75 g/mol
LogP7.30
Rot. Bonds13

About tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane

tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane (PubChem CID 140893830) has the molecular formula C30H42O2Si and a molecular weight of 462.75 g/mol. Its IUPAC name is tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
PubChem CID140893830
Molecular FormulaC30H42O2Si
Molecular Weight462.75 g/mol
Exact Mass462.30
IUPAC Nametert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
SMILESCCCCCCCc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C30H42O2Si/c1-5-6-7-8-11-17-26-23-24-27(32-26)18-16-25-31-33(30(2,3)4,28-19-12-9-13-20-28)29-21-14-10-15-22-29/h9-10,12-15,19-24H,5-8,11,16-18,25H2,1-4H3
InChIKeyDMAUGHHWEOUWAO-UHFFFAOYSA-N
XLogP7.30
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.75
LogP ≤ 57.30
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'}

Analyze tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane 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

4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
CID 16663523
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[5-(furan-3-yl)pentoxy]-diphenylsilane
CID 11153578
2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-ethyl-3,5-dimethylpyran-4-one
CID 102383328
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane (CID 140893830) is tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane is CCCCCCCc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1.
What is the InChIKey of tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane?
The InChIKey is DMAUGHHWEOUWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2Si/c1-5-6-7-8-11-17-26-23-24-27(32-26)18-16-25-31-33(30(2,3)4,28-19-12-9-13-20-28)29-21-14-10-15-22-29/h9-10,12-15,19-24H,5-8,11,16-18,25H2,1-4H3.
What are the key properties of tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane?
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane has a molecular weight of 462.75 g/mol, XLogP of 7.30, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane is sourced from PubChem (CID 140893830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).