2-[1-(cyclohexen-1-yl)propyl]oxasilinane

C13H24OSi — CID 173366395

IUPAC2-[1-(cyclohexen-1-yl)propyl]oxasilinane
SMILESCCC(C1=CCCCC1)[SiH]1CCCCO1
InChIInChI=1S/C13H24OSi/c1-2-13(12-8-4-3-5-9-12)15-11-7-6-10-14-15/h8,13,15H,2-7,9-11H2,1H3
InChIKeyJEQRQXRANIHUTN-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.80
Rot. Bonds3

About 2-[1-(cyclohexen-1-yl)propyl]oxasilinane

2-[1-(cyclohexen-1-yl)propyl]oxasilinane (PubChem CID 173366395) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 2-[1-(cyclohexen-1-yl)propyl]oxasilinane.

Molecular Properties

Compound Name2-[1-(cyclohexen-1-yl)propyl]oxasilinane
PubChem CID173366395
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name2-[1-(cyclohexen-1-yl)propyl]oxasilinane
SMILESCCC(C1=CCCCC1)[SiH]1CCCCO1
InChIInChI=1S/C13H24OSi/c1-2-13(12-8-4-3-5-9-12)15-11-7-6-10-14-15/h8,13,15H,2-7,9-11H2,1H3
InChIKeyJEQRQXRANIHUTN-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexen-1-yl)propyl]oxasilinane?
The IUPAC name of 2-[1-(cyclohexen-1-yl)propyl]oxasilinane (CID 173366395) is 2-[1-(cyclohexen-1-yl)propyl]oxasilinane.
What is the SMILES notation for 2-[1-(cyclohexen-1-yl)propyl]oxasilinane?
The canonical SMILES for 2-[1-(cyclohexen-1-yl)propyl]oxasilinane is CCC(C1=CCCCC1)[SiH]1CCCCO1.
What is the InChIKey of 2-[1-(cyclohexen-1-yl)propyl]oxasilinane?
The InChIKey is JEQRQXRANIHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-2-13(12-8-4-3-5-9-12)15-11-7-6-10-14-15/h8,13,15H,2-7,9-11H2,1H3.
What are the key properties of 2-[1-(cyclohexen-1-yl)propyl]oxasilinane?
2-[1-(cyclohexen-1-yl)propyl]oxasilinane has a molecular weight of 224.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexen-1-yl)propyl]oxasilinane is sourced from PubChem (CID 173366395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).