3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane

C12H21ClOTe — CID 134896740

IUPAC3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
SMILESCC[Te]1(Cl)CC23CCC(CC2O1)C3(C)C
InChIInChI=1S/C12H21ClOTe/c1-4-15(13)8-12-6-5-9(11(12,2)3)7-10(12)14-15/h9-10H,4-8H2,1-3H3
InChIKeyZXKZUZMWSNROJG-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.91
Rot. Bonds1

About 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane

3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane (PubChem CID 134896740) has the molecular formula C12H21ClOTe and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane.

Molecular Properties

Compound Name3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
PubChem CID134896740
Molecular FormulaC12H21ClOTe
Molecular Weight344.35 g/mol
Exact Mass346.03
IUPAC Name3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
SMILESCC[Te]1(Cl)CC23CCC(CC2O1)C3(C)C
InChIInChI=1S/C12H21ClOTe/c1-4-15(13)8-12-6-5-9(11(12,2)3)7-10(12)14-15/h9-10H,4-8H2,1-3H3
InChIKeyZXKZUZMWSNROJG-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.91
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

(3S,5R)-3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
CID 139266369
3-chloro-3,10,10-trimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
CID 85313585
(1S,5R,7R)-3-bromo-3-butyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
CID 10621868
(1S,3R,5R,7R)-3-bromo-10,10-dimethyl-3-phenyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
CID 10939038
methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate
CID 134881655
methyl (E)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate
CID 177483676
(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane
CID 15320505
(1S,5R,7R)-3-fluoro-3-(4-methoxyphenyl)-10,10-dimethyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane
CID 15320504
(1S,5R,7R)-3-chloro-3,10,10-trimethyl-4-oxa-3lambda4-thiatricyclo[5.2.1.01,5]decane
CID 15249258
10,10-dimethyl-4-oxa-3lambda6-thiatricyclo[5.2.1.01,5]decane 3,3-dioxide
CID 13183373
4,11,11-trimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecane
CID 85316647
(1S,5R,7R)-3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-selenatricyclo[5.2.1.01,5]decane
CID 10427575

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
The IUPAC name of 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane (CID 134896740) is 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane.
What is the SMILES notation for 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
The canonical SMILES for 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane is CC[Te]1(Cl)CC23CCC(CC2O1)C3(C)C.
What is the InChIKey of 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
The InChIKey is ZXKZUZMWSNROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClOTe/c1-4-15(13)8-12-6-5-9(11(12,2)3)7-10(12)14-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane?
3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane has a molecular weight of 344.35 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-ethyl-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decane is sourced from PubChem (CID 134896740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).