3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane

C14H19ClSi — CID 102012102

IUPAC3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane
SMILESC[Si](CCCCl)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C14H19ClSi/c1-16(12-6-11-15,13-7-2-3-8-13)14-9-4-5-10-14/h2-5,7-10,13-14H,6,11-12H2,1H3
InChIKeyQKDLXVWUDWMHSL-UHFFFAOYSA-N
MW250.84 g/mol
LogP4.69
Rot. Bonds5

About 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane

3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane (PubChem CID 102012102) has the molecular formula C14H19ClSi and a molecular weight of 250.84 g/mol. Its IUPAC name is 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane.

Molecular Properties

Compound Name3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane
PubChem CID102012102
Molecular FormulaC14H19ClSi
Molecular Weight250.84 g/mol
Exact Mass250.09
IUPAC Name3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane
SMILESC[Si](CCCCl)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C14H19ClSi/c1-16(12-6-11-15,13-7-2-3-8-13)14-9-4-5-10-14/h2-5,7-10,13-14H,6,11-12H2,1H3
InChIKeyQKDLXVWUDWMHSL-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.84
LogP ≤ 54.69
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-di(cyclopenta-2,4-dien-1-yl)-methylsilane?
The IUPAC name of 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane (CID 102012102) is 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane.
What is the SMILES notation for 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane?
The canonical SMILES for 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane is C[Si](CCCCl)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane?
The InChIKey is QKDLXVWUDWMHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClSi/c1-16(12-6-11-15,13-7-2-3-8-13)14-9-4-5-10-14/h2-5,7-10,13-14H,6,11-12H2,1H3.
What are the key properties of 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane?
3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane has a molecular weight of 250.84 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-di(cyclopenta-2,4-dien-1-yl)-methylsilane is sourced from PubChem (CID 102012102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).