[4-(heptoxymethyl)phenyl]-trimethylsilane

C17H30OSi — CID 103438642

IUPAC[4-(heptoxymethyl)phenyl]-trimethylsilane
SMILESCCCCCCCOCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H30OSi/c1-5-6-7-8-9-14-18-15-16-10-12-17(13-11-16)19(2,3)4/h10-13H,5-9,14-15H2,1-4H3
InChIKeyDTVGOIHIVZHTBD-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.72
Rot. Bonds9

About [4-(heptoxymethyl)phenyl]-trimethylsilane

[4-(heptoxymethyl)phenyl]-trimethylsilane (PubChem CID 103438642) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [4-(heptoxymethyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(heptoxymethyl)phenyl]-trimethylsilane
PubChem CID103438642
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[4-(heptoxymethyl)phenyl]-trimethylsilane
SMILESCCCCCCCOCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H30OSi/c1-5-6-7-8-9-14-18-15-16-10-12-17(13-11-16)19(2,3)4/h10-13H,5-9,14-15H2,1-4H3
InChIKeyDTVGOIHIVZHTBD-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(hexoxymethyl)phenol
CID 14816980
1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-(chloromethyl)-4-(dodecoxymethyl)benzene
CID 71367802
4-(dodecoxymethyl)pyridine
CID 175554630
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
azane;hexoxymethylbenzene
CID 174805489
(4-decylphenyl)-trimethylsilane
CID 69331769
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
trimethyl-[4-(3-methylbutoxymethyl)phenyl]silane
CID 103438618

Frequently Asked Questions

What is the IUPAC name of [4-(heptoxymethyl)phenyl]-trimethylsilane?
The IUPAC name of [4-(heptoxymethyl)phenyl]-trimethylsilane (CID 103438642) is [4-(heptoxymethyl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-(heptoxymethyl)phenyl]-trimethylsilane?
The canonical SMILES for [4-(heptoxymethyl)phenyl]-trimethylsilane is CCCCCCCOCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of [4-(heptoxymethyl)phenyl]-trimethylsilane?
The InChIKey is DTVGOIHIVZHTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-5-6-7-8-9-14-18-15-16-10-12-17(13-11-16)19(2,3)4/h10-13H,5-9,14-15H2,1-4H3.
What are the key properties of [4-(heptoxymethyl)phenyl]-trimethylsilane?
[4-(heptoxymethyl)phenyl]-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(heptoxymethyl)phenyl]-trimethylsilane is sourced from PubChem (CID 103438642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).