bis(2-butan-2-yloxyphenoxy)-dihydroxysilane

C20H28O6Si — CID 156762976

IUPACbis(2-butan-2-yloxyphenoxy)-dihydroxysilane
SMILESCCC(C)Oc1ccccc1O[Si](O)(O)Oc1ccccc1OC(C)CC
InChIInChI=1S/C20H28O6Si/c1-5-15(3)23-17-11-7-9-13-19(17)25-27(21,22)26-20-14-10-8-12-18(20)24-16(4)6-2/h7-16,21-22H,5-6H2,1-4H3
InChIKeyQCZCCVAWBAOKRM-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.92
Rot. Bonds10

About bis(2-butan-2-yloxyphenoxy)-dihydroxysilane

bis(2-butan-2-yloxyphenoxy)-dihydroxysilane (PubChem CID 156762976) has the molecular formula C20H28O6Si and a molecular weight of 392.52 g/mol. Its IUPAC name is bis(2-butan-2-yloxyphenoxy)-dihydroxysilane.

Molecular Properties

Compound Namebis(2-butan-2-yloxyphenoxy)-dihydroxysilane
PubChem CID156762976
Molecular FormulaC20H28O6Si
Molecular Weight392.52 g/mol
Exact Mass392.17
IUPAC Namebis(2-butan-2-yloxyphenoxy)-dihydroxysilane
SMILESCCC(C)Oc1ccccc1O[Si](O)(O)Oc1ccccc1OC(C)CC
InChIInChI=1S/C20H28O6Si/c1-5-15(3)23-17-11-7-9-13-19(17)25-27(21,22)26-20-14-10-8-12-18(20)24-16(4)6-2/h7-16,21-22H,5-6H2,1-4H3
InChIKeyQCZCCVAWBAOKRM-UHFFFAOYSA-N
XLogP3.92
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yloxy-2-ethylbenzene
CID 64763289
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
2-butan-2-yloxybenzoyl chloride
CID 134306055
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
3-butan-2-yloxy-2-chloropyridine
CID 65102026
2-[(2-butan-2-yloxyphenyl)methylidene]propanedinitrile
CID 5074532
1-(2-butan-2-yloxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 156765420
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
CID 22158866
2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79662122
3-butan-2-yloxy-2-methylbenzoic acid
CID 69219357

Frequently Asked Questions

What is the IUPAC name of bis(2-butan-2-yloxyphenoxy)-dihydroxysilane?
The IUPAC name of bis(2-butan-2-yloxyphenoxy)-dihydroxysilane (CID 156762976) is bis(2-butan-2-yloxyphenoxy)-dihydroxysilane.
What is the SMILES notation for bis(2-butan-2-yloxyphenoxy)-dihydroxysilane?
The canonical SMILES for bis(2-butan-2-yloxyphenoxy)-dihydroxysilane is CCC(C)Oc1ccccc1O[Si](O)(O)Oc1ccccc1OC(C)CC.
What is the InChIKey of bis(2-butan-2-yloxyphenoxy)-dihydroxysilane?
The InChIKey is QCZCCVAWBAOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6Si/c1-5-15(3)23-17-11-7-9-13-19(17)25-27(21,22)26-20-14-10-8-12-18(20)24-16(4)6-2/h7-16,21-22H,5-6H2,1-4H3.
What are the key properties of bis(2-butan-2-yloxyphenoxy)-dihydroxysilane?
bis(2-butan-2-yloxyphenoxy)-dihydroxysilane has a molecular weight of 392.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butan-2-yloxyphenoxy)-dihydroxysilane is sourced from PubChem (CID 156762976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).