8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane

C16H30O3Si — CID 173001338

IUPAC8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCC1=CCC=C1)(OC)OC
InChIInChI=1S/C16H30O3Si/c1-17-20(18-2,19-3)15-11-7-5-4-6-8-12-16-13-9-10-14-16/h9,13-14H,4-8,10-12,15H2,1-3H3
InChIKeyFGORPMJCKSKZQM-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.48
Rot. Bonds12

About 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane

8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane (PubChem CID 173001338) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane.

Molecular Properties

Compound Name8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
PubChem CID173001338
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
SMILESCO[Si](CCCCCCCCC1=CCC=C1)(OC)OC
InChIInChI=1S/C16H30O3Si/c1-17-20(18-2,19-3)15-11-7-5-4-6-8-12-16-13-9-10-14-16/h9,13-14H,4-8,10-12,15H2,1-3H3
InChIKeyFGORPMJCKSKZQM-UHFFFAOYSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.48
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

8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane
CID 87079683
2-heptadecylcyclopenta-1,3-diene
CID 91156945
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)
CID 87079168
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
CID 15841181
trimethoxy(12-phenyldodecyl)silane
CID 54325157
2-(2-bromoethyl)cyclopenta-1,3-diene
CID 91385772
cyclopenta-1,4-dien-1-ylmethoxy(trimethyl)silane
CID 22555170
trimethoxy(5-thiophen-2-ylpentyl)silane
CID 139649685
3-cyclopenta-1,4-dien-1-ylpropanal
CID 12934697
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771

Frequently Asked Questions

What is the IUPAC name of 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane?
The IUPAC name of 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane (CID 173001338) is 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane.
What is the SMILES notation for 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane?
The canonical SMILES for 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane is CO[Si](CCCCCCCCC1=CCC=C1)(OC)OC.
What is the InChIKey of 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane?
The InChIKey is FGORPMJCKSKZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-17-20(18-2,19-3)15-11-7-5-4-6-8-12-16-13-9-10-14-16/h9,13-14H,4-8,10-12,15H2,1-3H3.
What are the key properties of 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane?
8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane has a molecular weight of 298.50 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane is sourced from PubChem (CID 173001338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).