(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane

C26H34Si — CID 173384630

IUPAC(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
SMILESCCCCCC1=CC(Cc2ccccc2)=C([SiH2]c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C26H34Si/c1-5-6-8-13-23-17-24(16-22-11-9-7-10-12-22)25(18-23)27-26-20(3)14-19(2)15-21(26)4/h7,9-12,14-15,17H,5-6,8,13,16,18,27H2,1-4H3
InChIKeyLASRBEWQQLCQHI-UHFFFAOYSA-N
MW374.64 g/mol
LogP5.81
Rot. Bonds8

About (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane

(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane (PubChem CID 173384630) has the molecular formula C26H34Si and a molecular weight of 374.64 g/mol. Its IUPAC name is (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane.

Molecular Properties

Compound Name(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
PubChem CID173384630
Molecular FormulaC26H34Si
Molecular Weight374.64 g/mol
Exact Mass374.24
IUPAC Name(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
SMILESCCCCCC1=CC(Cc2ccccc2)=C([SiH2]c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C26H34Si/c1-5-6-8-13-23-17-24(16-22-11-9-7-10-12-22)25(18-23)27-26-20(3)14-19(2)15-21(26)4/h7,9-12,14-15,17H,5-6,8,13,16,18,27H2,1-4H3
InChIKeyLASRBEWQQLCQHI-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.81
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

(4-pentylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane
CID 173385104
(3,5-dimethylphenyl)-(2-methyl-4-pentylcyclopenta-1,3-dien-1-yl)silane
CID 173384416
(4-pentyl-3-phenylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
CID 173385014
1-benzyl-3,5-dioctylbenzene
CID 22920470
2-(2,4-dibutylcyclopenta-1,4-dien-1-yl)ethylbenzene
CID 18798401
1-benzyl-3-pentadecylbenzene
CID 173121378
(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
CID 173383470
(5-benzylcyclopenta-1,4-dien-1-yl)-pentyl-(2,4,6-trimethylphenyl)silane
CID 173384626
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
The IUPAC name of (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane (CID 173384630) is (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane.
What is the SMILES notation for (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
The canonical SMILES for (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane is CCCCCC1=CC(Cc2ccccc2)=C([SiH2]c2c(C)cc(C)cc2C)C1.
What is the InChIKey of (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
The InChIKey is LASRBEWQQLCQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si/c1-5-6-8-13-23-17-24(16-22-11-9-7-10-12-22)25(18-23)27-26-20(3)14-19(2)15-21(26)4/h7,9-12,14-15,17H,5-6,8,13,16,18,27H2,1-4H3.
What are the key properties of (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane has a molecular weight of 374.64 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane is sourced from PubChem (CID 173384630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).