butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane

C30H60Cl2Si2 — CID 139634038

IUPACbutyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane
SMILESCCCCCCCCCC[Si](Cl)(C#C[Si](Cl)(CCCC)CCCCCCCCCC)CCCC
InChIInChI=1S/C30H60Cl2Si2/c1-5-9-13-15-17-19-21-23-27-33(31,25-11-7-3)29-30-34(32,26-12-8-4)28-24-22-20-18-16-14-10-6-2/h5-28H2,1-4H3
InChIKeyRCMHFHIYNIHGTK-UHFFFAOYSA-N
MW547.89 g/mol
LogP12.32
Rot. Bonds24

About butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane

butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane (PubChem CID 139634038) has the molecular formula C30H60Cl2Si2 and a molecular weight of 547.89 g/mol. Its IUPAC name is butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane.

Molecular Properties

Compound Namebutyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane
PubChem CID139634038
Molecular FormulaC30H60Cl2Si2
Molecular Weight547.89 g/mol
Exact Mass546.36
IUPAC Namebutyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane
SMILESCCCCCCCCCC[Si](Cl)(C#C[Si](Cl)(CCCC)CCCCCCCCCC)CCCC
InChIInChI=1S/C30H60Cl2Si2/c1-5-9-13-15-17-19-21-23-27-33(31,25-11-7-3)29-30-34(32,26-12-8-4)28-24-22-20-18-16-14-10-6-2/h5-28H2,1-4H3
InChIKeyRCMHFHIYNIHGTK-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.89
LogP ≤ 512.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

butyl-dichloro-octylsilane
CID 140745133
chloro-tri(nonyl)silane
CID 140826961
trichloro(octyl)silane
CID 21354
chloro-dimethyl-nonadecylsilane
CID 87338427
butyl-chloro-methyl-pentylsilane
CID 87411075
butyl-dihexyl-octylsilane
CID 168803297
dibutyl-chloro-[4-[dibutyl(chloro)silyl]butyl]silane
CID 87144873
dichloro-[6-[dichloro-[6-[dichloro-[6-[dichloro-[6-[dichloro(heptyl)silyl]hexyl]silyl]hexyl]silyl]hexyl]silyl]hexyl]-propylsilane
CID 59426953
dichloro-iodo-octylsilane
CID 154486818
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
butyl-heptyl-methyl-octylsilane
CID 168803305
trifluoro(tridecyl)silane
CID 537319

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane?
The IUPAC name of butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane (CID 139634038) is butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane.
What is the SMILES notation for butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane?
The canonical SMILES for butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane is CCCCCCCCCC[Si](Cl)(C#C[Si](Cl)(CCCC)CCCCCCCCCC)CCCC.
What is the InChIKey of butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane?
The InChIKey is RCMHFHIYNIHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60Cl2Si2/c1-5-9-13-15-17-19-21-23-27-33(31,25-11-7-3)29-30-34(32,26-12-8-4)28-24-22-20-18-16-14-10-6-2/h5-28H2,1-4H3.
What are the key properties of butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane?
butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane has a molecular weight of 547.89 g/mol, XLogP of 12.32, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane is sourced from PubChem (CID 139634038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).