(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane

C25H30Si — CID 22438235

IUPAC(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane
SMILESCCCCC1=C(CCCC)C(=[Si](c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C25H30Si/c1-3-5-13-21-19-20-25(24(21)18-6-4-2)26(22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3
InChIKeyNGGOVTNOFUGQBA-UHFFFAOYSA-N
MW358.60 g/mol
LogP5.30
Rot. Bonds8

About (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane

(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane (PubChem CID 22438235) has the molecular formula C25H30Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane.

Molecular Properties

Compound Name(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane
PubChem CID22438235
Molecular FormulaC25H30Si
Molecular Weight358.60 g/mol
Exact Mass358.21
IUPAC Name(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane
SMILESCCCCC1=C(CCCC)C(=[Si](c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C25H30Si/c1-3-5-13-21-19-20-25(24(21)18-6-4-2)26(22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3
InChIKeyNGGOVTNOFUGQBA-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.30
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

2,3-dibutylcyclohexa-2,5-diene-1,4-dione
CID 18356690
CID 137249374
CID 137249374
2,3-dibutylinden-1-one
CID 10657817
1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
CID 173118712
butylbenzene;carbonic acid
CID 158278492
butylbenzene;propylbenzene
CID 142022125
CID 45050202
CID 45050202
Dihexyl(phenyl)silane
CID 10923838
CID 159940559
CID 159940559
CID 137019124
CID 137019124
butylbenzene;hydroxylamine
CID 175142403
2-[(3-butyl-1,4-dioxonaphthalen-2-yl)methyl]-3-methylnaphthalene-1,4-dione
CID 122393317

Frequently Asked Questions

What is the IUPAC name of (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane?
The IUPAC name of (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane (CID 22438235) is (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane.
What is the SMILES notation for (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane?
The canonical SMILES for (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane is CCCCC1=C(CCCC)C(=[Si](c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane?
The InChIKey is NGGOVTNOFUGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Si/c1-3-5-13-21-19-20-25(24(21)18-6-4-2)26(22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3.
What are the key properties of (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane?
(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane has a molecular weight of 358.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane is sourced from PubChem (CID 22438235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).