carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)

C27H54O3PtSi — CID 87079168

IUPACcarbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)
SMILESCO[Si](CCCCCCCCCCCCCCCCC1=[C-]CC=C1)(OC)OC.[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C24H45O3Si.3CH3.Pt/c1-25-28(26-2,27-3)23-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24-21-17-18-22-24;;;;/h17,21H,4-16,18-20,23H2,1-3H3;3*1H3;/q4*-1;+4
InChIKeySPWWRTCVBVHSOK-UHFFFAOYSA-N
MW649.89 g/mol
LogP8.75
Rot. Bonds20

About carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)

carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) (PubChem CID 87079168) has the molecular formula C27H54O3PtSi and a molecular weight of 649.89 g/mol. Its IUPAC name is carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+).

Molecular Properties

Compound Namecarbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)
PubChem CID87079168
Molecular FormulaC27H54O3PtSi
Molecular Weight649.89 g/mol
Exact Mass649.35
IUPAC Namecarbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)
SMILESCO[Si](CCCCCCCCCCCCCCCCC1=[C-]CC=C1)(OC)OC.[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C24H45O3Si.3CH3.Pt/c1-25-28(26-2,27-3)23-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24-21-17-18-22-24;;;;/h17,21H,4-16,18-20,23H2,1-3H3;3*1H3;/q4*-1;+4
InChIKeySPWWRTCVBVHSOK-UHFFFAOYSA-N
XLogP8.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.89
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

carbanide;8-cyclopenta-1,4-dien-1-yloctyl-ethoxy-dimethylsilane;platinum(4+)
CID 87079204
bis(2-heptylcyclopenta-1,3-diene);iron(2+)
CID 20531351
manganese;2-pentylcyclopenta-1,3-diene
CID 174921079
hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride
CID 22325444
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296
8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
CID 173001338
cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride
CID 87976157
2-cyclopenta-1,4-dien-1-ylethyl-dimethyl-trimethylsilyloxysilane;titanium(3+);dichloride
CID 87976130
bis(2-butylcyclopenta-1,3-diene);methylidenezirconium(2+);dihydrochloride
CID 87997533
sodium;2-hexylcyclopenta-1,3-diene;oxolane
CID 175411309

Frequently Asked Questions

What is the IUPAC name of carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?
The IUPAC name of carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) (CID 87079168) is carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+).
What is the SMILES notation for carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?
The canonical SMILES for carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) is CO[Si](CCCCCCCCCCCCCCCCC1=[C-]CC=C1)(OC)OC.[CH3-].[CH3-].[CH3-].[Pt+4].
What is the InChIKey of carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?
The InChIKey is SPWWRTCVBVHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O3Si.3CH3.Pt/c1-25-28(26-2,27-3)23-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24-21-17-18-22-24;;;;/h17,21H,4-16,18-20,23H2,1-3H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+)?
carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) has a molecular weight of 649.89 g/mol, XLogP of 8.75, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;16-cyclopenta-1,4-dien-1-ylhexadecyl(trimethoxy)silane;platinum(4+) is sourced from PubChem (CID 87079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).