(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane

C21H32Si — CID 173383470

IUPAC(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
SMILESCCCCCC1=C(C)C=C([SiH2]c2c(C)cc(C)cc2C)C1C
InChIInChI=1S/C21H32Si/c1-7-8-9-10-19-15(3)13-20(18(19)6)22-21-16(4)11-14(2)12-17(21)5/h11-13,18H,7-10,22H2,1-6H3
InChIKeyFNKDBPQTCWSCHL-UHFFFAOYSA-N
MW312.57 g/mol
LogP4.84
Rot. Bonds6

About (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane

(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane (PubChem CID 173383470) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane.

Molecular Properties

Compound Name(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
PubChem CID173383470
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
SMILESCCCCCC1=C(C)C=C([SiH2]c2c(C)cc(C)cc2C)C1C
InChIInChI=1S/C21H32Si/c1-7-8-9-10-19-15(3)13-20(18(19)6)22-21-16(4)11-14(2)12-17(21)5/h11-13,18H,7-10,22H2,1-6H3
InChIKeyFNKDBPQTCWSCHL-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.84
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
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
(2-benzyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane
CID 173384630
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
2-butyl-1,3,5-trimethylbenzene
CID 527298
1-heptyl-2,3,5-trimethylbenzene
CID 90943000
(4-pentyl-3-phenylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
CID 173385014
(3,5-dimethylphenyl)-(2-methyl-4-pentylcyclopenta-1,3-dien-1-yl)silane
CID 173384416
5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene
CID 22002978
2,6-dimethyl-4-pentylphenol
CID 22625507

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
The IUPAC name of (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane (CID 173383470) is (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane.
What is the SMILES notation for (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
The canonical SMILES for (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane is CCCCCC1=C(C)C=C([SiH2]c2c(C)cc(C)cc2C)C1C.
What is the InChIKey of (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
The InChIKey is FNKDBPQTCWSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-7-8-9-10-19-15(3)13-20(18(19)6)22-21-16(4)11-14(2)12-17(21)5/h11-13,18H,7-10,22H2,1-6H3.
What are the key properties of (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane?
(3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane has a molecular weight of 312.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane is sourced from PubChem (CID 173383470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).