3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane

C17H32O3Si — CID 66598847

IUPAC3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane
SMILESCCCO[Si](CCCC1=CC=CC1)(OCCC)OCCC
InChIInChI=1S/C17H32O3Si/c1-4-13-18-21(19-14-5-2,20-15-6-3)16-9-12-17-10-7-8-11-17/h7-8,10H,4-6,9,11-16H2,1-3H3
InChIKeyDVUSIBKDYUOUMC-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.87
Rot. Bonds13

About 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane

3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane (PubChem CID 66598847) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane
PubChem CID66598847
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane
SMILESCCCO[Si](CCCC1=CC=CC1)(OCCC)OCCC
InChIInChI=1S/C17H32O3Si/c1-4-13-18-21(19-14-5-2,20-15-6-3)16-9-12-17-10-7-8-11-17/h7-8,10H,4-6,9,11-16H2,1-3H3
InChIKeyDVUSIBKDYUOUMC-UHFFFAOYSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane (CID 66598847) is 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane is CCCO[Si](CCCC1=CC=CC1)(OCCC)OCCC.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane?
The InChIKey is DVUSIBKDYUOUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-4-13-18-21(19-14-5-2,20-15-6-3)16-9-12-17-10-7-8-11-17/h7-8,10H,4-6,9,11-16H2,1-3H3.
What are the key properties of 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane?
3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane has a molecular weight of 312.53 g/mol, XLogP of 4.87, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-ylpropyl(tripropoxy)silane is sourced from PubChem (CID 66598847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).