methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane

C29H62OSi — CID 159216631

IUPACmethane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane
SMILESC.C.C.C.C.C.C.C.CCC(CC(c1ccccc1)[Si](C)(C)OC)c1cccc(C)c1
InChIInChI=1S/C21H30OSi.8CH4/c1-6-18(20-14-10-11-17(2)15-20)16-21(23(4,5)22-3)19-12-8-7-9-13-19;;;;;;;;/h7-15,18,21H,6,16H2,1-5H3;8*1H4
InChIKeyKRDRDRGMZDQHPM-UHFFFAOYSA-N
MW454.90 g/mol
LogP11.14
Rot. Bonds7

About methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane

methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane (PubChem CID 159216631) has the molecular formula C29H62OSi and a molecular weight of 454.90 g/mol. Its IUPAC name is methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane.

Molecular Properties

Compound Namemethane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane
PubChem CID159216631
Molecular FormulaC29H62OSi
Molecular Weight454.90 g/mol
Exact Mass454.46
IUPAC Namemethane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane
SMILESC.C.C.C.C.C.C.C.CCC(CC(c1ccccc1)[Si](C)(C)OC)c1cccc(C)c1
InChIInChI=1S/C21H30OSi.8CH4/c1-6-18(20-14-10-11-17(2)15-20)16-21(23(4,5)22-3)19-12-8-7-9-13-19;;;;;;;;/h7-15,18,21H,6,16H2,1-5H3;8*1H4
InChIKeyKRDRDRGMZDQHPM-UHFFFAOYSA-N
XLogP11.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.90
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane
CID 160570428
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
3-(3-methylphenyl)pentan-1-amine
CID 82074944
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
4-(3-methylphenyl)octane-2,6-diamine;dihydrochloride
CID 170889803
trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane
CID 124671488
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
triethoxy-[1-(3-methylphenyl)ethyl]silane
CID 139239900
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
1-[di(butan-2-yloxy)methyl]-3-methylbenzene
CID 23199715
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111

Frequently Asked Questions

What is the IUPAC name of methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane?
The IUPAC name of methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane (CID 159216631) is methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane.
What is the SMILES notation for methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane?
The canonical SMILES for methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane is C.C.C.C.C.C.C.C.CCC(CC(c1ccccc1)[Si](C)(C)OC)c1cccc(C)c1.
What is the InChIKey of methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane?
The InChIKey is KRDRDRGMZDQHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30OSi.8CH4/c1-6-18(20-14-10-11-17(2)15-20)16-21(23(4,5)22-3)19-12-8-7-9-13-19;;;;;;;;/h7-15,18,21H,6,16H2,1-5H3;8*1H4.
What are the key properties of methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane?
methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane has a molecular weight of 454.90 g/mol, XLogP of 11.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane is sourced from PubChem (CID 159216631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).