(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C27H44Si — CID 173383512

IUPAC(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C=CC(C)=C2C)c1
InChIInChI=1S/C27H44Si/c1-7-9-11-13-15-24-19-25(16-14-12-10-8-2)21-26(20-24)28(5,6)27-18-17-22(3)23(27)4/h17-21,27H,7-16H2,1-6H3
InChIKeyKBQBGPFRHWUHBF-UHFFFAOYSA-N
MW396.74 g/mol
LogP8.12
Rot. Bonds12

About (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 173383512) has the molecular formula C27H44Si and a molecular weight of 396.74 g/mol. Its IUPAC name is (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID173383512
Molecular FormulaC27H44Si
Molecular Weight396.74 g/mol
Exact Mass396.32
IUPAC Name(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C=CC(C)=C2C)c1
InChIInChI=1S/C27H44Si/c1-7-9-11-13-15-24-19-25(16-14-12-10-8-2)21-26(20-24)28(5,6)27-18-17-22(3)23(27)4/h17-21,27H,7-16H2,1-6H3
InChIKeyKBQBGPFRHWUHBF-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 58.12
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

(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane
CID 173383793
(3,5-dihexylphenyl)-(2,5-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane;titanium(4+);trichloride
CID 173384390
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
(3,5-dihexylphenyl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-id-1-yl)silane;titanium(4+);trichloride
CID 173383480
(4-decylphenyl)-trimethylsilane
CID 69331769
titanium(4+);tris(3,5-dihexylphenyl)-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 161043758
(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride
CID 173384911

Frequently Asked Questions

What is the IUPAC name of (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 173383512) is (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C=CC(C)=C2C)c1.
What is the InChIKey of (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is KBQBGPFRHWUHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44Si/c1-7-9-11-13-15-24-19-25(16-14-12-10-8-2)21-26(20-24)28(5,6)27-18-17-22(3)23(27)4/h17-21,27H,7-16H2,1-6H3.
What are the key properties of (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 396.74 g/mol, XLogP of 8.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 173383512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).