methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate

C14H21ClO3Te — CID 134881655

IUPACmethyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C\[Te]1(Cl)CC23CCC(CC2O1)C3(C)C
InChIInChI=1S/C14H21ClO3Te/c1-13(2)10-4-6-14(13)9-19(15,18-11(14)8-10)7-5-12(16)17-3/h5,7,10-11H,4,6,8-9H2,1-3H3/b7-5-
InChIKeyWABCAPWZFFJMRV-ALCCZGGFSA-N
MW400.37 g/mol
LogP3.16
Rot. Bonds2

About methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate

methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate (PubChem CID 134881655) has the molecular formula C14H21ClO3Te and a molecular weight of 400.37 g/mol. Its IUPAC name is methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate
PubChem CID134881655
Molecular FormulaC14H21ClO3Te
Molecular Weight400.37 g/mol
Exact Mass402.02
IUPAC Namemethyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C\[Te]1(Cl)CC23CCC(CC2O1)C3(C)C
InChIInChI=1S/C14H21ClO3Te/c1-13(2)10-4-6-14(13)9-19(15,18-11(14)8-10)7-5-12(16)17-3/h5,7,10-11H,4,6,8-9H2,1-3H3/b7-5-
InChIKeyWABCAPWZFFJMRV-ALCCZGGFSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate?
The IUPAC name of 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) is methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate is COC(=O)/C=C\[Te]1(Cl)CC23CCC(CC2O1)C3(C)C.
What is the InChIKey of methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate?
The InChIKey is WABCAPWZFFJMRV-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H21ClO3Te/c1-13(2)10-4-6-14(13)9-19(15,18-11(14)8-10)7-5-12(16)17-3/h5,7,10-11H,4,6,8-9H2,1-3H3/b7-5-.
What are the key properties of methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate?
methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate has a molecular weight of 400.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(3-chloro-10,10-dimethyl-4-oxa-3λ4-telluratricyclo[5.2.1.01,5]decan-3-yl)prop-2-enoate is sourced from PubChem (CID 134881655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).