chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane

C19H35ClSi — CID 91246606

IUPACchloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
SMILESCC(C)C1=C(C(C)C)C([Si](C)(C)Cl)C(C(C)C)=C1C(C)C
InChIInChI=1S/C19H35ClSi/c1-11(2)15-16(12(3)4)18(14(7)8)19(21(9,10)20)17(15)13(5)6/h11-14,19H,1-10H3
InChIKeyFDBAVEMRFUPFSP-UHFFFAOYSA-N
MW327.03 g/mol
LogP7.03
Rot. Bonds5

About chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane

chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane (PubChem CID 91246606) has the molecular formula C19H35ClSi and a molecular weight of 327.03 g/mol. Its IUPAC name is chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane.

Molecular Properties

Compound Namechloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
PubChem CID91246606
Molecular FormulaC19H35ClSi
Molecular Weight327.03 g/mol
Exact Mass326.22
IUPAC Namechloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
SMILESCC(C)C1=C(C(C)C)C([Si](C)(C)Cl)C(C(C)C)=C1C(C)C
InChIInChI=1S/C19H35ClSi/c1-11(2)15-16(12(3)4)18(14(7)8)19(21(9,10)20)17(15)13(5)6/h11-14,19H,1-10H3
InChIKeyFDBAVEMRFUPFSP-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.03
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane?
The IUPAC name of chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane (CID 91246606) is chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane.
What is the SMILES notation for chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane?
The canonical SMILES for chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane is CC(C)C1=C(C(C)C)C([Si](C)(C)Cl)C(C(C)C)=C1C(C)C.
What is the InChIKey of chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane?
The InChIKey is FDBAVEMRFUPFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35ClSi/c1-11(2)15-16(12(3)4)18(14(7)8)19(21(9,10)20)17(15)13(5)6/h11-14,19H,1-10H3.
What are the key properties of chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane?
chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane has a molecular weight of 327.03 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane is sourced from PubChem (CID 91246606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).