bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone

C31H50O5Si2 — CID 173273606

IUPACbis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone
SMILESC[SiH](C)OC(CCOc1ccc(C(=O)c2ccc(OCCC(O[SiH](C)C)C(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C31H50O5Si2/c1-30(2,3)27(35-37(7)8)19-21-33-25-15-11-23(12-16-25)29(32)24-13-17-26(18-14-24)34-22-20-28(31(4,5)6)36-38(9)10/h11-18,27-28,37-38H,19-22H2,1-10H3
InChIKeyYPTRUOYDPUIHBU-UHFFFAOYSA-N
MW558.91 g/mol
LogP7.28
Rot. Bonds14

About bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone

bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone (PubChem CID 173273606) has the molecular formula C31H50O5Si2 and a molecular weight of 558.91 g/mol. Its IUPAC name is bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone
PubChem CID173273606
Molecular FormulaC31H50O5Si2
Molecular Weight558.91 g/mol
Exact Mass558.32
IUPAC Namebis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone
SMILESC[SiH](C)OC(CCOc1ccc(C(=O)c2ccc(OCCC(O[SiH](C)C)C(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C31H50O5Si2/c1-30(2,3)27(35-37(7)8)19-21-33-25-15-11-23(12-16-25)29(32)24-13-17-26(18-14-24)34-22-20-28(31(4,5)6)36-38(9)10/h11-18,27-28,37-38H,19-22H2,1-10H3
InChIKeyYPTRUOYDPUIHBU-UHFFFAOYSA-N
XLogP7.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.91
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
CID 129110948
[3,3-dimethyl-1-(4-prop-2-ynoxyphenoxy)butan-2-yl]oxy-dimethylsilane
CID 173188384
4-(4-methylpentoxy)benzoic acid
CID 22645282
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
4-[2-[(3-methyl-2-propan-2-ylbutyl)amino]ethoxy]benzoic acid
CID 103268744
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
CID 144696670

Frequently Asked Questions

What is the IUPAC name of bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone?
The IUPAC name of bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone (CID 173273606) is bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone.
What is the SMILES notation for bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone?
The canonical SMILES for bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone is C[SiH](C)OC(CCOc1ccc(C(=O)c2ccc(OCCC(O[SiH](C)C)C(C)(C)C)cc2)cc1)C(C)(C)C.
What is the InChIKey of bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone?
The InChIKey is YPTRUOYDPUIHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50O5Si2/c1-30(2,3)27(35-37(7)8)19-21-33-25-15-11-23(12-16-25)29(32)24-13-17-26(18-14-24)34-22-20-28(31(4,5)6)36-38(9)10/h11-18,27-28,37-38H,19-22H2,1-10H3.
What are the key properties of bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone?
bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone has a molecular weight of 558.91 g/mol, XLogP of 7.28, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone is sourced from PubChem (CID 173273606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).