3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane

C11H19ClSi — CID 18990731

IUPAC3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane
SMILESCC1=CC([Si](C)(C)CCCCl)=CC1
InChIInChI=1S/C11H19ClSi/c1-10-5-6-11(9-10)13(2,3)8-4-7-12/h6,9H,4-5,7-8H2,1-3H3
InChIKeyJKMLUTRVKSSLPL-UHFFFAOYSA-N
MW214.81 g/mol
LogP4.14
Rot. Bonds4

About 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane

3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane (PubChem CID 18990731) has the molecular formula C11H19ClSi and a molecular weight of 214.81 g/mol. Its IUPAC name is 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane.

Molecular Properties

Compound Name3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane
PubChem CID18990731
Molecular FormulaC11H19ClSi
Molecular Weight214.81 g/mol
Exact Mass214.09
IUPAC Name3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane
SMILESCC1=CC([Si](C)(C)CCCCl)=CC1
InChIInChI=1S/C11H19ClSi/c1-10-5-6-11(9-10)13(2,3)8-4-7-12/h6,9H,4-5,7-8H2,1-3H3
InChIKeyJKMLUTRVKSSLPL-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane?
The IUPAC name of 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane (CID 18990731) is 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane.
What is the SMILES notation for 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane?
The canonical SMILES for 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane is CC1=CC([Si](C)(C)CCCCl)=CC1.
What is the InChIKey of 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane?
The InChIKey is JKMLUTRVKSSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClSi/c1-10-5-6-11(9-10)13(2,3)8-4-7-12/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane?
3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane has a molecular weight of 214.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane is sourced from PubChem (CID 18990731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).