dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane

C21H32Si — CID 154312925

IUPACdipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane
SMILESCCC[SiH](CCC)CC1C(C)=C(C)C(C)=C1c1ccccc1
InChIInChI=1S/C21H32Si/c1-6-13-22(14-7-2)15-20-17(4)16(3)18(5)21(20)19-11-9-8-10-12-19/h8-12,20,22H,6-7,13-15H2,1-5H3
InChIKeyLEKBGBZCWOEANU-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.47
Rot. Bonds7

About dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane

dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane (PubChem CID 154312925) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane.

Molecular Properties

Compound Namedipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane
PubChem CID154312925
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Namedipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane
SMILESCCC[SiH](CCC)CC1C(C)=C(C)C(C)=C1c1ccccc1
InChIInChI=1S/C21H32Si/c1-6-13-22(14-7-2)15-20-17(4)16(3)18(5)21(20)19-11-9-8-10-12-19/h8-12,20,22H,6-7,13-15H2,1-5H3
InChIKeyLEKBGBZCWOEANU-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane?
The IUPAC name of dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane (CID 154312925) is dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane.
What is the SMILES notation for dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane?
The canonical SMILES for dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane is CCC[SiH](CCC)CC1C(C)=C(C)C(C)=C1c1ccccc1.
What is the InChIKey of dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane?
The InChIKey is LEKBGBZCWOEANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-6-13-22(14-7-2)15-20-17(4)16(3)18(5)21(20)19-11-9-8-10-12-19/h8-12,20,22H,6-7,13-15H2,1-5H3.
What are the key properties of dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane?
dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane has a molecular weight of 312.57 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl-[(2,3,4-trimethyl-5-phenylcyclopenta-2,4-dien-1-yl)methyl]silane is sourced from PubChem (CID 154312925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).