3-chloropropyl(tricyclopentyloxy)silane

C18H33ClO3Si — CID 141447825

IUPAC3-chloropropyl(tricyclopentyloxy)silane
SMILESClCCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H33ClO3Si/c19-14-7-15-23(20-16-8-1-2-9-16,21-17-10-3-4-11-17)22-18-12-5-6-13-18/h16-18H,1-15H2
InChIKeyZCTMKBLJVVHBFE-UHFFFAOYSA-N
MW361.00 g/mol
LogP5.43
Rot. Bonds9

About 3-chloropropyl(tricyclopentyloxy)silane

3-chloropropyl(tricyclopentyloxy)silane (PubChem CID 141447825) has the molecular formula C18H33ClO3Si and a molecular weight of 361.00 g/mol. Its IUPAC name is 3-chloropropyl(tricyclopentyloxy)silane.

Molecular Properties

Compound Name3-chloropropyl(tricyclopentyloxy)silane
PubChem CID141447825
Molecular FormulaC18H33ClO3Si
Molecular Weight361.00 g/mol
Exact Mass360.19
IUPAC Name3-chloropropyl(tricyclopentyloxy)silane
SMILESClCCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H33ClO3Si/c19-14-7-15-23(20-16-8-1-2-9-16,21-17-10-3-4-11-17)22-18-12-5-6-13-18/h16-18H,1-15H2
InChIKeyZCTMKBLJVVHBFE-UHFFFAOYSA-N
XLogP5.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.00
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(tricyclopentyloxy)silane?
The IUPAC name of 3-chloropropyl(tricyclopentyloxy)silane (CID 141447825) is 3-chloropropyl(tricyclopentyloxy)silane.
What is the SMILES notation for 3-chloropropyl(tricyclopentyloxy)silane?
The canonical SMILES for 3-chloropropyl(tricyclopentyloxy)silane is ClCCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of 3-chloropropyl(tricyclopentyloxy)silane?
The InChIKey is ZCTMKBLJVVHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33ClO3Si/c19-14-7-15-23(20-16-8-1-2-9-16,21-17-10-3-4-11-17)22-18-12-5-6-13-18/h16-18H,1-15H2.
What are the key properties of 3-chloropropyl(tricyclopentyloxy)silane?
3-chloropropyl(tricyclopentyloxy)silane has a molecular weight of 361.00 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(tricyclopentyloxy)silane is sourced from PubChem (CID 141447825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).