tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane

C28H38O2Si — CID 154601605

IUPACtert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CCCc1ccc2cc(-c3ccccc3)oc2c1
InChIInChI=1S/C28H38O2Si/c1-28(2,3)31(4,5)29-20-14-9-7-6-8-11-15-23-18-19-25-22-27(30-26(25)21-23)24-16-12-10-13-17-24/h6-7,10,12-13,16-19,21-22H,8-9,11,14-15,20H2,1-5H3/b7-6+
InChIKeyBGJNXHQQWDADSX-VOTSOKGWSA-N
MW434.70 g/mol
LogP8.78
Rot. Bonds10

About tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane

tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane (PubChem CID 154601605) has the molecular formula C28H38O2Si and a molecular weight of 434.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane
PubChem CID154601605
Molecular FormulaC28H38O2Si
Molecular Weight434.70 g/mol
Exact Mass434.26
IUPAC Nametert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CCCc1ccc2cc(-c3ccccc3)oc2c1
InChIInChI=1S/C28H38O2Si/c1-28(2,3)31(4,5)29-20-14-9-7-6-8-11-15-23-18-19-25-22-27(30-26(25)21-23)24-16-12-10-13-17-24/h6-7,10,12-13,16-19,21-22H,8-9,11,14-15,20H2,1-5H3/b7-6+
InChIKeyBGJNXHQQWDADSX-VOTSOKGWSA-N
XLogP8.78
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 58.78
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(E)-8-[[2-(4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]oct-4-enoxy]silane
CID 154601598
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744
tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
CID 101433900
3-[2,2-dimethyl-5-[4-(2-phenyl-1-benzofuran-6-yl)butyl]-1,3-dioxolan-4-yl]propan-1-ol
CID 154601559
tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane
CID 6613423
(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate
CID 153303362
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
[5-[4-[[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]naphthalen-2-yl]amino]-4-oxobutyl]-2-phenylphenyl]carbamic acid
CID 154486212
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
(E)-3-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenoxy]prop-2-enoic acid
CID 68533653
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
CID 155933037

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane (CID 154601605) is tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane is CC(C)(C)[Si](C)(C)OCCC/C=C/CCCc1ccc2cc(-c3ccccc3)oc2c1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane?
The InChIKey is BGJNXHQQWDADSX-VOTSOKGWSA-N. The full InChI is InChI=1S/C28H38O2Si/c1-28(2,3)31(4,5)29-20-14-9-7-6-8-11-15-23-18-19-25-22-27(30-26(25)21-23)24-16-12-10-13-17-24/h6-7,10,12-13,16-19,21-22H,8-9,11,14-15,20H2,1-5H3/b7-6+.
What are the key properties of tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane?
tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane has a molecular weight of 434.70 g/mol, XLogP of 8.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-8-(2-phenyl-1-benzofuran-6-yl)oct-4-enoxy]silane is sourced from PubChem (CID 154601605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).