1,2,3-triheptyl-1H-silole

C25H48Si — CID 175140524

IUPAC1,2,3-triheptyl-1H-silole
SMILESCCCCCCCC1=C(CCCCCCC)[SiH](CCCCCCC)C=C1
InChIInChI=1S/C25H48Si/c1-4-7-10-13-16-19-24-21-23-26(22-18-15-12-9-6-3)25(24)20-17-14-11-8-5-2/h21,23,26H,4-20,22H2,1-3H3
InChIKeyRRVMXEYWUWBFRP-UHFFFAOYSA-N
MW376.75 g/mol
LogP8.85
Rot. Bonds18

About 1,2,3-triheptyl-1H-silole

1,2,3-triheptyl-1H-silole (PubChem CID 175140524) has the molecular formula C25H48Si and a molecular weight of 376.75 g/mol. Its IUPAC name is 1,2,3-triheptyl-1H-silole.

Molecular Properties

Compound Name1,2,3-triheptyl-1H-silole
PubChem CID175140524
Molecular FormulaC25H48Si
Molecular Weight376.75 g/mol
Exact Mass376.35
IUPAC Name1,2,3-triheptyl-1H-silole
SMILESCCCCCCCC1=C(CCCCCCC)[SiH](CCCCCCC)C=C1
InChIInChI=1S/C25H48Si/c1-4-7-10-13-16-19-24-21-23-26(22-18-15-12-9-6-3)25(24)20-17-14-11-8-5-2/h21,23,26H,4-20,22H2,1-3H3
InChIKeyRRVMXEYWUWBFRP-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.75
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

3-hexyl-1,2-dimethyl-1H-silole
CID 173240913
2-heptadecyloxirene
CID 91445376
undecane;dihydrobromide
CID 172838591
1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
CID 173118712
1,5-dimethyl-2-octylcyclopenta-1,3-diene
CID 90487428
2-octyl-1,3,4-oxadiazole
CID 17244516
3-hexyldioxasilirane
CID 123402842
2,5-diheptylthiophene
CID 607114
2-hexyl-1,5-dimethylcyclopenta-1,3-diene chloride
CID 90487594
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triheptyl-1H-silole?
The IUPAC name of 1,2,3-triheptyl-1H-silole (CID 175140524) is 1,2,3-triheptyl-1H-silole.
What is the SMILES notation for 1,2,3-triheptyl-1H-silole?
The canonical SMILES for 1,2,3-triheptyl-1H-silole is CCCCCCCC1=C(CCCCCCC)[SiH](CCCCCCC)C=C1.
What is the InChIKey of 1,2,3-triheptyl-1H-silole?
The InChIKey is RRVMXEYWUWBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48Si/c1-4-7-10-13-16-19-24-21-23-26(22-18-15-12-9-6-3)25(24)20-17-14-11-8-5-2/h21,23,26H,4-20,22H2,1-3H3.
What are the key properties of 1,2,3-triheptyl-1H-silole?
1,2,3-triheptyl-1H-silole has a molecular weight of 376.75 g/mol, XLogP of 8.85, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triheptyl-1H-silole is sourced from PubChem (CID 175140524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).