[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane

C26H34Si — CID 173384051

IUPAC[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane
SMILESCCCCC1=C(Cc2ccc(CCCC)cc2)CC=C1[SiH2]c1ccccc1
InChIInChI=1S/C26H34Si/c1-3-5-10-21-14-16-22(17-15-21)20-23-18-19-26(25(23)13-6-4-2)27-24-11-8-7-9-12-24/h7-9,11-12,14-17,19H,3-6,10,13,18,20,27H2,1-2H3
InChIKeyHYDMJAWITJHJMK-UHFFFAOYSA-N
MW374.64 g/mol
LogP5.84
Rot. Bonds10

About [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane

[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane (PubChem CID 173384051) has the molecular formula C26H34Si and a molecular weight of 374.64 g/mol. Its IUPAC name is [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane.

Molecular Properties

Compound Name[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane
PubChem CID173384051
Molecular FormulaC26H34Si
Molecular Weight374.64 g/mol
Exact Mass374.24
IUPAC Name[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane
SMILESCCCCC1=C(Cc2ccc(CCCC)cc2)CC=C1[SiH2]c1ccccc1
InChIInChI=1S/C26H34Si/c1-3-5-10-21-14-16-22(17-15-21)20-23-18-19-26(25(23)13-6-4-2)27-24-11-8-7-9-12-24/h7-9,11-12,14-17,19H,3-6,10,13,18,20,27H2,1-2H3
InChIKeyHYDMJAWITJHJMK-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
butylbenzene;propylbenzene
CID 142022125
1-butyl-4-phenylbenzene;ethane
CID 143743409
butylbenzene;hydroxylamine
CID 175142403
[5-benzyl-4-(4-butylphenyl)cyclopenta-1,4-dien-1-yl]-diphenylsilane
CID 173384771
1-butyl-4-methylbenzene;phenol
CID 174834955
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
butylbenzene;carbonic acid
CID 158278492
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744

Frequently Asked Questions

What is the IUPAC name of [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane?
The IUPAC name of [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane (CID 173384051) is [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane.
What is the SMILES notation for [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane?
The canonical SMILES for [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane is CCCCC1=C(Cc2ccc(CCCC)cc2)CC=C1[SiH2]c1ccccc1.
What is the InChIKey of [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane?
The InChIKey is HYDMJAWITJHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si/c1-3-5-10-21-14-16-22(17-15-21)20-23-18-19-26(25(23)13-6-4-2)27-24-11-8-7-9-12-24/h7-9,11-12,14-17,19H,3-6,10,13,18,20,27H2,1-2H3.
What are the key properties of [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane?
[5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane has a molecular weight of 374.64 g/mol, XLogP of 5.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-4-[(4-butylphenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylsilane is sourced from PubChem (CID 173384051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).