3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane

C23H50O3Si — CID 175227846

IUPAC3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane
SMILESCCCCC[Si](OC)(OC(C)(CC)CCCC)OC(CC)(CC)CCCC
InChIInChI=1S/C23H50O3Si/c1-9-15-18-21-27(24-8,25-22(7,12-4)19-16-10-2)26-23(13-5,14-6)20-17-11-3/h9-21H2,1-8H3
InChIKeyLXBXLLUQIKFNIL-UHFFFAOYSA-N
MW402.74 g/mol
LogP7.90
Rot. Bonds18

About 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane

3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane (PubChem CID 175227846) has the molecular formula C23H50O3Si and a molecular weight of 402.74 g/mol. Its IUPAC name is 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane.

Molecular Properties

Compound Name3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane
PubChem CID175227846
Molecular FormulaC23H50O3Si
Molecular Weight402.74 g/mol
Exact Mass402.35
IUPAC Name3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane
SMILESCCCCC[Si](OC)(OC(C)(CC)CCCC)OC(CC)(CC)CCCC
InChIInChI=1S/C23H50O3Si/c1-9-15-18-21-27(24-8,25-22(7,12-4)19-16-10-2)26-23(13-5,14-6)20-17-11-3/h9-21H2,1-8H3
InChIKeyLXBXLLUQIKFNIL-UHFFFAOYSA-N
XLogP7.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.74
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl-(3-ethylicosan-3-yloxy)-dimethoxysilane
CID 175024794
dodecyl(trimethoxy)silane;octane
CID 174570785
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane
CID 141037366
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
CID 87152956

Frequently Asked Questions

What is the IUPAC name of 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane?
The IUPAC name of 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane (CID 175227846) is 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane.
What is the SMILES notation for 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane?
The canonical SMILES for 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane is CCCCC[Si](OC)(OC(C)(CC)CCCC)OC(CC)(CC)CCCC.
What is the InChIKey of 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane?
The InChIKey is LXBXLLUQIKFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O3Si/c1-9-15-18-21-27(24-8,25-22(7,12-4)19-16-10-2)26-23(13-5,14-6)20-17-11-3/h9-21H2,1-8H3.
What are the key properties of 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane?
3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane has a molecular weight of 402.74 g/mol, XLogP of 7.90, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylheptan-3-yloxy-methoxy-(3-methylheptan-3-yloxy)-pentylsilane is sourced from PubChem (CID 175227846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).