tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane

C25H54OSi — CID 139910313

IUPACtris(3-ethyl-2-methylpentan-3-yl)-methoxysilane
SMILESCCC(CC)(C(C)C)[Si](OC)(C(CC)(CC)C(C)C)C(CC)(CC)C(C)C
InChIInChI=1S/C25H54OSi/c1-14-23(15-2,20(7)8)27(26-13,24(16-3,17-4)21(9)10)25(18-5,19-6)22(11)12/h20-22H,14-19H2,1-13H3
InChIKeyMQQNNPCLKJOWLB-UHFFFAOYSA-N
MW398.79 g/mol
LogP9.23
Rot. Bonds13

About tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane

tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane (PubChem CID 139910313) has the molecular formula C25H54OSi and a molecular weight of 398.79 g/mol. Its IUPAC name is tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane.

Molecular Properties

Compound Nametris(3-ethyl-2-methylpentan-3-yl)-methoxysilane
PubChem CID139910313
Molecular FormulaC25H54OSi
Molecular Weight398.79 g/mol
Exact Mass398.39
IUPAC Nametris(3-ethyl-2-methylpentan-3-yl)-methoxysilane
SMILESCCC(CC)(C(C)C)[Si](OC)(C(CC)(CC)C(C)C)C(CC)(CC)C(C)C
InChIInChI=1S/C25H54OSi/c1-14-23(15-2,20(7)8)27(26-13,24(16-3,17-4)21(9)10)25(18-5,19-6)22(11)12/h20-22H,14-19H2,1-13H3
InChIKeyMQQNNPCLKJOWLB-UHFFFAOYSA-N
XLogP9.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.79
LogP ≤ 59.23
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

(3-ethyl-2-methylpentan-3-yl)-trimethoxysilane
CID 139910270
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
N,N-di(propan-2-yl)-1-trimethoxysilylpropan-1-amine
CID 87407225
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
lithium (3-ethyl-2,4-dimethylpentan-3-yl)azanide
CID 139991311
di(butan-2-yl)-dimethoxysilane
CID 11687104
3-ethylpentan-3-yl-methoxy-dimethylsilane
CID 54356799
ethyl-[1-[ethyl(dimethoxy)silyl]ethyl]-dimethoxysilane
CID 87296626
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
2,3-dimethylpentan-3-yloxy(trimethyl)silane
CID 10679187
3,3-diethyl-2-methylpentane;ethane
CID 163394660

Frequently Asked Questions

What is the IUPAC name of tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane?
The IUPAC name of tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane (CID 139910313) is tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane.
What is the SMILES notation for tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane?
The canonical SMILES for tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane is CCC(CC)(C(C)C)[Si](OC)(C(CC)(CC)C(C)C)C(CC)(CC)C(C)C.
What is the InChIKey of tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane?
The InChIKey is MQQNNPCLKJOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54OSi/c1-14-23(15-2,20(7)8)27(26-13,24(16-3,17-4)21(9)10)25(18-5,19-6)22(11)12/h20-22H,14-19H2,1-13H3.
What are the key properties of tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane?
tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane has a molecular weight of 398.79 g/mol, XLogP of 9.23, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-ethyl-2-methylpentan-3-yl)-methoxysilane is sourced from PubChem (CID 139910313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).