butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane

C30H58O2Si2 — CID 66774397

IUPACbutoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane
SMILESCCCCO[Si](c1ccc([Si](OCCCC)(C(C)(C)C)C(C)(C)C)cc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C30H58O2Si2/c1-15-17-23-31-33(27(3,4)5,28(6,7)8)25-19-21-26(22-20-25)34(29(9,10)11,30(12,13)14)32-24-18-16-2/h19-22H,15-18,23-24H2,1-14H3
InChIKeyDANBPPKEFVBTDQ-UHFFFAOYSA-N
MW506.96 g/mol
LogP8.83
Rot. Bonds10

About butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane

butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane (PubChem CID 66774397) has the molecular formula C30H58O2Si2 and a molecular weight of 506.96 g/mol. Its IUPAC name is butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane.

Molecular Properties

Compound Namebutoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane
PubChem CID66774397
Molecular FormulaC30H58O2Si2
Molecular Weight506.96 g/mol
Exact Mass506.40
IUPAC Namebutoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane
SMILESCCCCO[Si](c1ccc([Si](OCCCC)(C(C)(C)C)C(C)(C)C)cc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C30H58O2Si2/c1-15-17-23-31-33(27(3,4)5,28(6,7)8)25-19-21-26(22-20-25)34(29(9,10)11,30(12,13)14)32-24-18-16-2/h19-22H,15-18,23-24H2,1-14H3
InChIKeyDANBPPKEFVBTDQ-UHFFFAOYSA-N
XLogP8.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.96
LogP ≤ 58.83
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'}

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Related Compounds

dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
(4-bromophenyl)-butoxy-diethylsilane
CID 140744022
tributoxy-(4-ethenylphenyl)silane
CID 141272321
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
sodium dibutoxy-oxido-phenylsilane
CID 101018788
tributyl tert-butyl silicate
CID 627698
tributoxy-(4-iodo-3-methylphenyl)silane
CID 153491523
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane
CID 102181209
trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
CID 86092710

Frequently Asked Questions

What is the IUPAC name of butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane?
The IUPAC name of butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane (CID 66774397) is butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane.
What is the SMILES notation for butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane?
The canonical SMILES for butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane is CCCCO[Si](c1ccc([Si](OCCCC)(C(C)(C)C)C(C)(C)C)cc1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane?
The InChIKey is DANBPPKEFVBTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O2Si2/c1-15-17-23-31-33(27(3,4)5,28(6,7)8)25-19-21-26(22-20-25)34(29(9,10)11,30(12,13)14)32-24-18-16-2/h19-22H,15-18,23-24H2,1-14H3.
What are the key properties of butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane?
butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane has a molecular weight of 506.96 g/mol, XLogP of 8.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane is sourced from PubChem (CID 66774397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).