[3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane

C18H26Si — CID 150335813

IUPAC[3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane
SMILESCCCCc1ccc(C2=C(C)CC([SiH2]C)=C2C)cc1
InChIInChI=1S/C18H26Si/c1-5-6-7-15-8-10-16(11-9-15)18-13(2)12-17(19-4)14(18)3/h8-11H,5-7,12,19H2,1-4H3
InChIKeyGQQLWHKLTWHMPJ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.70
Rot. Bonds5

About [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane

[3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane (PubChem CID 150335813) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane.

Molecular Properties

Compound Name[3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane
PubChem CID150335813
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name[3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane
SMILESCCCCc1ccc(C2=C(C)CC([SiH2]C)=C2C)cc1
InChIInChI=1S/C18H26Si/c1-5-6-7-15-8-10-16(11-9-15)18-13(2)12-17(19-4)14(18)3/h8-11H,5-7,12,19H2,1-4H3
InChIKeyGQQLWHKLTWHMPJ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.70
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-butyl-4-(2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene
CID 139929581
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
1-butyl-4-phenylbenzene;ethane
CID 143743409
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-methyl-4-octylbenzene
CID 11052746

Frequently Asked Questions

What is the IUPAC name of [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane?
The IUPAC name of [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane (CID 150335813) is [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane.
What is the SMILES notation for [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane?
The canonical SMILES for [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane is CCCCc1ccc(C2=C(C)CC([SiH2]C)=C2C)cc1.
What is the InChIKey of [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane?
The InChIKey is GQQLWHKLTWHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-5-6-7-15-8-10-16(11-9-15)18-13(2)12-17(19-4)14(18)3/h8-11H,5-7,12,19H2,1-4H3.
What are the key properties of [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane?
[3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butylphenyl)-2,4-dimethylcyclopenta-1,3-dien-1-yl]-methylsilane is sourced from PubChem (CID 150335813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).