2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane

C3H28O11Si11 — CID 154432474

IUPAC2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
SMILESCCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/C3H28O11Si11/c1-2-3-25-13-23-11-21-9-19-7-17-5-15-4-16-6-18-8-20-10-22-12-24-14-25/h25H,2-3,15-24H2,1H3
InChIKeyLOROFEVXAOMGRF-UHFFFAOYSA-N
MW549.19 g/mol
LogP-9.20
Rot. Bonds2

About 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane

2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane (PubChem CID 154432474) has the molecular formula C3H28O11Si11 and a molecular weight of 549.19 g/mol. Its IUPAC name is 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane.

Molecular Properties

Compound Name2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
PubChem CID154432474
Molecular FormulaC3H28O11Si11
Molecular Weight549.19 g/mol
Exact Mass547.91
IUPAC Name2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
SMILESCCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/C3H28O11Si11/c1-2-3-25-13-23-11-21-9-19-7-17-5-15-4-16-6-18-8-20-10-22-12-24-14-25/h25H,2-3,15-24H2,1H3
InChIKeyLOROFEVXAOMGRF-UHFFFAOYSA-N
XLogP-9.20
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.19
LogP ≤ 5-9.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The IUPAC name of 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane (CID 154432474) is 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane.
What is the SMILES notation for 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The canonical SMILES for 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane is CCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1.
What is the InChIKey of 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
The InChIKey is LOROFEVXAOMGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H28O11Si11/c1-2-3-25-13-23-11-21-9-19-7-17-5-15-4-16-6-18-8-20-10-22-12-24-14-25/h25H,2-3,15-24H2,1H3.
What are the key properties of 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane?
2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane has a molecular weight of 549.19 g/mol, XLogP of -9.20, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane is sourced from PubChem (CID 154432474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).