1,2,3-trimethoxy-4-octadecylsiline

C26H48O3Si — CID 142492009

IUPAC1,2,3-trimethoxy-4-octadecylsiline
SMILESCCCCCCCCCCCCCCCCCCc1cc[si](OC)c(OC)c1OC
InChIInChI=1S/C26H48O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-30(29-4)26(28-3)25(24)27-2/h22-23H,5-21H2,1-4H3
InChIKeyKUDRRJBGQUAHGT-UHFFFAOYSA-N
MW436.75 g/mol
LogP7.59
Rot. Bonds20

About 1,2,3-trimethoxy-4-octadecylsiline

1,2,3-trimethoxy-4-octadecylsiline (PubChem CID 142492009) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-octadecylsiline.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-octadecylsiline
PubChem CID142492009
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Name1,2,3-trimethoxy-4-octadecylsiline
SMILESCCCCCCCCCCCCCCCCCCc1cc[si](OC)c(OC)c1OC
InChIInChI=1S/C26H48O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-30(29-4)26(28-3)25(24)27-2/h22-23H,5-21H2,1-4H3
InChIKeyKUDRRJBGQUAHGT-UHFFFAOYSA-N
XLogP7.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 57.59
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

1-(2,3-dimethoxy-4-pentadecylphenyl)-2,3-dimethoxy-4-pentadecylbenzene
CID 86127214
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
1-methoxy-2-tetradecylbenzene
CID 69169530
1-hexyl-4-propylnaphthalene
CID 173269452
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
(3-hexyl-2,6-dimethoxyphenyl)boronic acid
CID 66930879
3-hexyl-2-methoxybenzoic acid
CID 90189065
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
1,9,10-trimethoxy-2-pentylanthracene
CID 175607146
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
5-(3,4-dimethoxy-5-pentadecylphenyl)-1-heptadecyl-2,3-dimethoxybenzene
CID 86127224

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-octadecylsiline?
The IUPAC name of 1,2,3-trimethoxy-4-octadecylsiline (CID 142492009) is 1,2,3-trimethoxy-4-octadecylsiline.
What is the SMILES notation for 1,2,3-trimethoxy-4-octadecylsiline?
The canonical SMILES for 1,2,3-trimethoxy-4-octadecylsiline is CCCCCCCCCCCCCCCCCCc1cc[si](OC)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-4-octadecylsiline?
The InChIKey is KUDRRJBGQUAHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-30(29-4)26(28-3)25(24)27-2/h22-23H,5-21H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-4-octadecylsiline?
1,2,3-trimethoxy-4-octadecylsiline has a molecular weight of 436.75 g/mol, XLogP of 7.59, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-octadecylsiline is sourced from PubChem (CID 142492009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).