dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane

C30H56Si3 — CID 139672567

IUPACdimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(CC)C1=CC([Si](C)(C)C2C=C([Si](CC)(CC)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C30H56Si3/c1-13-32(14-2,15-3)25-19-27(23(7)8)29(21-25)31(11,12)30-22-26(20-28(30)24(9)10)33(16-4,17-5)18-6/h19-24,29-30H,13-18H2,1-12H3
InChIKeyLRBCQPJUWPNMQM-UHFFFAOYSA-N
MW501.04 g/mol
LogP10.58
Rot. Bonds12

About dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane

dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139672567) has the molecular formula C30H56Si3 and a molecular weight of 501.04 g/mol. Its IUPAC name is dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139672567
Molecular FormulaC30H56Si3
Molecular Weight501.04 g/mol
Exact Mass500.37
IUPAC Namedimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(CC)C1=CC([Si](C)(C)C2C=C([Si](CC)(CC)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C30H56Si3/c1-13-32(14-2,15-3)25-19-27(23(7)8)29(21-25)31(11,12)30-22-26(20-28(30)24(9)10)33(16-4,17-5)18-6/h19-24,29-30H,13-18H2,1-12H3
InChIKeyLRBCQPJUWPNMQM-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.04
LogP ≤ 510.58
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 dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane (CID 139672567) is dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane is CC[Si](CC)(CC)C1=CC([Si](C)(C)C2C=C([Si](CC)(CC)CC)C=C2C(C)C)C(C(C)C)=C1.
What is the InChIKey of dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LRBCQPJUWPNMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56Si3/c1-13-32(14-2,15-3)25-19-27(23(7)8)29(21-25)31(11,12)30-22-26(20-28(30)24(9)10)33(16-4,17-5)18-6/h19-24,29-30H,13-18H2,1-12H3.
What are the key properties of dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 501.04 g/mol, XLogP of 10.58, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139672567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).