2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane

C17H36OSi — CID 123396547

IUPAC2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane
SMILESCC1CCCCCCC(C)(C)O[Si](C)(C)C(C)(C)C1
InChIInChI=1S/C17H36OSi/c1-15-12-10-8-9-11-13-16(2,3)18-19(6,7)17(4,5)14-15/h15H,8-14H2,1-7H3
InChIKeyWMQKZYAJYIMZLC-UHFFFAOYSA-N
MW284.56 g/mol
LogP6.15
Rot. Bonds

About 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane

2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane (PubChem CID 123396547) has the molecular formula C17H36OSi and a molecular weight of 284.56 g/mol. Its IUPAC name is 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane.

Molecular Properties

Compound Name2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane
PubChem CID123396547
Molecular FormulaC17H36OSi
Molecular Weight284.56 g/mol
Exact Mass284.25
IUPAC Name2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane
SMILESCC1CCCCCCC(C)(C)O[Si](C)(C)C(C)(C)C1
InChIInChI=1S/C17H36OSi/c1-15-12-10-8-9-11-13-16(2,3)18-19(6,7)17(4,5)14-15/h15H,8-14H2,1-7H3
InChIKeyWMQKZYAJYIMZLC-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 146213470
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1,1,4-trimethylcyclononane
CID 71397842
1,1,2,8-tetramethylcyclononane
CID 123968014
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane
CID 25259779
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
(3R)-3-methylspiro[4.5]decane
CID 140778087
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
1,1,2,7-tetramethylcyclooctane
CID 141451493

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane?
The IUPAC name of 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane (CID 123396547) is 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane.
What is the SMILES notation for 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane?
The canonical SMILES for 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane is CC1CCCCCCC(C)(C)O[Si](C)(C)C(C)(C)C1.
What is the InChIKey of 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane?
The InChIKey is WMQKZYAJYIMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36OSi/c1-15-12-10-8-9-11-13-16(2,3)18-19(6,7)17(4,5)14-15/h15H,8-14H2,1-7H3.
What are the key properties of 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane?
2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane has a molecular weight of 284.56 g/mol, XLogP of 6.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,12,12-heptamethyl-1-oxa-2-silacyclododecane is sourced from PubChem (CID 123396547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).