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

C29H48Si — CID 173383564

IUPAC(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C=CC=C2CCCC)c1
InChIInChI=1S/C29H48Si/c1-6-9-12-14-17-25-22-26(18-15-13-10-7-2)24-28(23-25)30(4,5)29-21-16-20-27(29)19-11-8-3/h16,20-24,29H,6-15,17-19H2,1-5H3
InChIKeyLWZWMJHYVGTVCB-UHFFFAOYSA-N
MW424.79 g/mol
LogP8.90
Rot. Bonds15

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

(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane (PubChem CID 173383564) has the molecular formula C29H48Si and a molecular weight of 424.79 g/mol. Its IUPAC name is (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane.

Molecular Properties

Compound Name(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
PubChem CID173383564
Molecular FormulaC29H48Si
Molecular Weight424.79 g/mol
Exact Mass424.35
IUPAC Name(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C=CC=C2CCCC)c1
InChIInChI=1S/C29H48Si/c1-6-9-12-14-17-25-22-26(18-15-13-10-7-2)24-28(23-25)30(4,5)29-21-16-20-27(29)19-11-8-3/h16,20-24,29H,6-15,17-19H2,1-5H3
InChIKeyLWZWMJHYVGTVCB-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.79
LogP ≤ 58.90
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

(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 173383512
(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
(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699569
(3,5-dihexylphenyl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-id-1-yl)silane;titanium(4+);trichloride
CID 173383480
1,5-dioctylcyclopenta-1,3-diene
CID 173106521
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947

Frequently Asked Questions

What is the IUPAC name of (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane?
The IUPAC name of (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane (CID 173383564) is (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane.
What is the SMILES notation for (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane?
The canonical SMILES for (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane is CCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C=CC=C2CCCC)c1.
What is the InChIKey of (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane?
The InChIKey is LWZWMJHYVGTVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48Si/c1-6-9-12-14-17-25-22-26(18-15-13-10-7-2)24-28(23-25)30(4,5)29-21-16-20-27(29)19-11-8-3/h16,20-24,29H,6-15,17-19H2,1-5H3.
What are the key properties of (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane?
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane has a molecular weight of 424.79 g/mol, XLogP of 8.90, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane is sourced from PubChem (CID 173383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).