2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane

C20H60O10Si10 — CID 151575691

IUPAC2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane
SMILESCCCCCCCCCCCCCCCCCCCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/C20H60O10Si10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-29-38-27-36-25-34-23-32-21-31-22-33-24-35-26-37-28-39-30-40/h40H,2-20,31-39H2,1H3
InChIKeyQFKCCQDYTKMPDR-UHFFFAOYSA-N
MW741.55 g/mol
LogP-1.58
Rot. Bonds19

About 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane

2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane (PubChem CID 151575691) has the molecular formula C20H60O10Si10 and a molecular weight of 741.55 g/mol. Its IUPAC name is 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane.

Molecular Properties

Compound Name2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane
PubChem CID151575691
Molecular FormulaC20H60O10Si10
Molecular Weight741.55 g/mol
Exact Mass740.19
IUPAC Name2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane
SMILESCCCCCCCCCCCCCCCCCCCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/C20H60O10Si10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-29-38-27-36-25-34-23-32-21-31-22-33-24-35-26-37-28-39-30-40/h40H,2-20,31-39H2,1H3
InChIKeyQFKCCQDYTKMPDR-UHFFFAOYSA-N
XLogP-1.58
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.55
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-undecyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 173048202
3-hexyldioxasilirane
CID 123402842
undecane;dihydrobromide
CID 172838591
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
dohexacontane
CID 522644
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane?
The IUPAC name of 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane (CID 151575691) is 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane.
What is the SMILES notation for 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane?
The canonical SMILES for 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane is CCCCCCCCCCCCCCCCCCCC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1.
What is the InChIKey of 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane?
The InChIKey is QFKCCQDYTKMPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H60O10Si10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-29-38-27-36-25-34-23-32-21-31-22-33-24-35-26-37-28-39-30-40/h40H,2-20,31-39H2,1H3.
What are the key properties of 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane?
2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane has a molecular weight of 741.55 g/mol, XLogP of -1.58, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane is sourced from PubChem (CID 151575691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).