trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane

C25H42O2Si — CID 170688801

IUPACtrimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane
SMILESCC(C)OCCOCCCCCCCCCc1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C25H42O2Si/c1-23(2)27-21-20-26-19-12-10-8-6-7-9-11-13-24-14-16-25(17-15-24)18-22-28(3,4)5/h14-17,23H,6-13,19-21H2,1-5H3
InChIKeyWIRQCEKFQTWSNN-UHFFFAOYSA-N
MW402.70 g/mol
LogP6.63
Rot. Bonds14

About trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane

trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane (PubChem CID 170688801) has the molecular formula C25H42O2Si and a molecular weight of 402.70 g/mol. Its IUPAC name is trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane
PubChem CID170688801
Molecular FormulaC25H42O2Si
Molecular Weight402.70 g/mol
Exact Mass402.30
IUPAC Nametrimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane
SMILESCC(C)OCCOCCCCCCCCCc1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C25H42O2Si/c1-23(2)27-21-20-26-19-12-10-8-6-7-9-11-13-24-14-16-25(17-15-24)18-22-28(3,4)5/h14-17,23H,6-13,19-21H2,1-5H3
InChIKeyWIRQCEKFQTWSNN-UHFFFAOYSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.70
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[11-(2-propan-2-yloxyethoxy)undecyl]benzene
CID 170689211
trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837
12-(3-propan-2-yloxypropoxy)dodecylbenzene
CID 170688779
4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
CID 12032946
1-(3,3-dimethylbut-1-ynyl)-4-[8-(3-ethoxypropoxy)octyl]benzene
CID 162744345
1-fluoro-3-[13-(2-propan-2-yloxyethoxy)tridecyl]benzene
CID 170689167
6-propan-2-yloxyhexylbenzene
CID 57124523
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(2-trimethylsilylethynyl)phenyl]nonoxy]ethoxy]phosphinic acid
CID 167652483
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
CID 141318682
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane (CID 170688801) is trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane is CC(C)OCCOCCCCCCCCCc1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane?
The InChIKey is WIRQCEKFQTWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2Si/c1-23(2)27-21-20-26-19-12-10-8-6-7-9-11-13-24-14-16-25(17-15-24)18-22-28(3,4)5/h14-17,23H,6-13,19-21H2,1-5H3.
What are the key properties of trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane?
trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane has a molecular weight of 402.70 g/mol, XLogP of 6.63, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-[9-(2-propan-2-yloxyethoxy)nonyl]phenyl]ethynyl]silane is sourced from PubChem (CID 170688801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).