octa-1,3-dienyl(tripentoxy)silane

C23H46O3Si — CID 153307537

IUPACocta-1,3-dienyl(tripentoxy)silane
SMILESCCCCC=CC=C[Si](OCCCCC)(OCCCCC)OCCCCC
InChIInChI=1S/C23H46O3Si/c1-5-9-13-14-15-19-23-27(24-20-16-10-6-2,25-21-17-11-7-3)26-22-18-12-8-4/h14-15,19,23H,5-13,16-18,20-22H2,1-4H3
InChIKeyXTAXLTQWGRXLNC-UHFFFAOYSA-N
MW398.70 g/mol
LogP7.39
Rot. Bonds20

About octa-1,3-dienyl(tripentoxy)silane

octa-1,3-dienyl(tripentoxy)silane (PubChem CID 153307537) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is octa-1,3-dienyl(tripentoxy)silane.

Molecular Properties

Compound Nameocta-1,3-dienyl(tripentoxy)silane
PubChem CID153307537
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Nameocta-1,3-dienyl(tripentoxy)silane
SMILESCCCCC=CC=C[Si](OCCCCC)(OCCCCC)OCCCCC
InChIInChI=1S/C23H46O3Si/c1-5-9-13-14-15-19-23-27(24-20-16-10-6-2,25-21-17-11-7-3)26-22-18-12-8-4/h14-15,19,23H,5-13,16-18,20-22H2,1-4H3
InChIKeyXTAXLTQWGRXLNC-UHFFFAOYSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 57.39
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tripropoxy(tetradec-1-enyl)silane
CID 155797355
triethoxy-[(E)-hex-1-enyl]silane
CID 11184190
methyl-tris(octadec-9-enoxy)silane
CID 91284347
triethoxy(icos-1-enyl)silane
CID 140638362
triethoxy(undec-1-enyl)silane
CID 140758879
1-hexoxyocta-1,3-diene
CID 149151620
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
1-(nonoxymethoxy)dodeca-5,7-diene
CID 166757657
(5E,7Z)-1-(nonoxymethoxy)dodeca-5,7-diene
CID 162392663
tributyl-[(8E)-dodeca-8,10-dienoxy]silane
CID 173412990
(22E)-heptatetraconta-22,24-diene
CID 56629131

Frequently Asked Questions

What is the IUPAC name of octa-1,3-dienyl(tripentoxy)silane?
The IUPAC name of octa-1,3-dienyl(tripentoxy)silane (CID 153307537) is octa-1,3-dienyl(tripentoxy)silane.
What is the SMILES notation for octa-1,3-dienyl(tripentoxy)silane?
The canonical SMILES for octa-1,3-dienyl(tripentoxy)silane is CCCCC=CC=C[Si](OCCCCC)(OCCCCC)OCCCCC.
What is the InChIKey of octa-1,3-dienyl(tripentoxy)silane?
The InChIKey is XTAXLTQWGRXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-5-9-13-14-15-19-23-27(24-20-16-10-6-2,25-21-17-11-7-3)26-22-18-12-8-4/h14-15,19,23H,5-13,16-18,20-22H2,1-4H3.
What are the key properties of octa-1,3-dienyl(tripentoxy)silane?
octa-1,3-dienyl(tripentoxy)silane has a molecular weight of 398.70 g/mol, XLogP of 7.39, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,3-dienyl(tripentoxy)silane is sourced from PubChem (CID 153307537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).