(3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde

C15H22OTe — CID 142383242

IUPAC(3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde
SMILESCC1=C(C)[C@H](C)C(C=O)(CC2C=CCCC2)[Te]1
InChIInChI=1S/C15H22OTe/c1-11-12(2)15(10-16,17-13(11)3)9-14-7-5-4-6-8-14/h5,7,10,12,14H,4,6,8-9H2,1-3H3/t12-,14?,15?/m0/s1
InChIKeyGGADYUXRCIOPED-GRTSSRMGSA-N
MW345.94 g/mol
LogP3.74
Rot. Bonds3

About (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde

(3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde (PubChem CID 142383242) has the molecular formula C15H22OTe and a molecular weight of 345.94 g/mol. Its IUPAC name is (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde.

Molecular Properties

Compound Name(3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde
PubChem CID142383242
Molecular FormulaC15H22OTe
Molecular Weight345.94 g/mol
Exact Mass348.07
IUPAC Name(3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde
SMILESCC1=C(C)[C@H](C)C(C=O)(CC2C=CCCC2)[Te]1
InChIInChI=1S/C15H22OTe/c1-11-12(2)15(10-16,17-13(11)3)9-14-7-5-4-6-8-14/h5,7,10,12,14H,4,6,8-9H2,1-3H3/t12-,14?,15?/m0/s1
InChIKeyGGADYUXRCIOPED-GRTSSRMGSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde?
The IUPAC name of (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde (CID 142383242) is (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde.
What is the SMILES notation for (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde?
The canonical SMILES for (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde is CC1=C(C)[C@H](C)C(C=O)(CC2C=CCCC2)[Te]1.
What is the InChIKey of (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde?
The InChIKey is GGADYUXRCIOPED-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H22OTe/c1-11-12(2)15(10-16,17-13(11)3)9-14-7-5-4-6-8-14/h5,7,10,12,14H,4,6,8-9H2,1-3H3/t12-,14?,15?/m0/s1.
What are the key properties of (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde?
(3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde has a molecular weight of 345.94 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(cyclohex-2-en-1-ylmethyl)-3,4,5-trimethyl-3H-tellurophene-2-carbaldehyde is sourced from PubChem (CID 142383242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).