chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane

C15H27ClSi — CID 141235544

IUPACchloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCC1=CC([Si](C)(C)Cl)C=C1
InChIInChI=1S/C15H27ClSi/c1-4-5-6-7-8-9-10-14-11-12-15(13-14)17(2,3)16/h11-13,15H,4-10H2,1-3H3
InChIKeyQVSOPKXZANAWLL-UHFFFAOYSA-N
MW270.92 g/mol
LogP6.05
Rot. Bonds8

About chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane

chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 141235544) has the molecular formula C15H27ClSi and a molecular weight of 270.92 g/mol. Its IUPAC name is chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
PubChem CID141235544
Molecular FormulaC15H27ClSi
Molecular Weight270.92 g/mol
Exact Mass270.16
IUPAC Namechloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCC1=CC([Si](C)(C)Cl)C=C1
InChIInChI=1S/C15H27ClSi/c1-4-5-6-7-8-9-10-14-11-12-15(13-14)17(2,3)16/h11-13,15H,4-10H2,1-3H3
InChIKeyQVSOPKXZANAWLL-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.92
LogP ≤ 56.05
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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CID 174290613
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2-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174487779
(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
CID 174668494
2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium
CID 174700660
chloro-dimethyl-(3-octylcyclopenta-1,3-dien-1-yl)silane
CID 67541931
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
4-dodecyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 154210233
(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
CID 130459982
1-methyl-3-octadecyl-1H-pyrrol-1-ium bromide
CID 135368716
2-heptadecylcyclopenta-1,3-diene
CID 91156945
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CID 17244516

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane (CID 141235544) is chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane is CCCCCCCCC1=CC([Si](C)(C)Cl)C=C1.
What is the InChIKey of chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is QVSOPKXZANAWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClSi/c1-4-5-6-7-8-9-10-14-11-12-15(13-14)17(2,3)16/h11-13,15H,4-10H2,1-3H3.
What are the key properties of chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane?
chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 270.92 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 141235544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).