methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate

C17H28O3Te — CID 134881607

IUPACmethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate
SMILESCCC/C(=C/C(=O)OC)[Te]CC12CCC(CC1O)C2(C)C
InChIInChI=1S/C17H28O3Te/c1-5-6-13(10-15(19)20-4)21-11-17-8-7-12(9-14(17)18)16(17,2)3/h10,12,14,18H,5-9,11H2,1-4H3/b13-10-
InChIKeySOVVZFXXGZBNBK-RAXLEYEMSA-N
MW408.01 g/mol
LogP3.15
Rot. Bonds6

About methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate

methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate (PubChem CID 134881607) has the molecular formula C17H28O3Te and a molecular weight of 408.01 g/mol. Its IUPAC name is methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate
PubChem CID134881607
Molecular FormulaC17H28O3Te
Molecular Weight408.01 g/mol
Exact Mass410.11
IUPAC Namemethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate
SMILESCCC/C(=C/C(=O)OC)[Te]CC12CCC(CC1O)C2(C)C
InChIInChI=1S/C17H28O3Te/c1-5-6-13(10-15(19)20-4)21-11-17-8-7-12(9-14(17)18)16(17,2)3/h10,12,14,18H,5-9,11H2,1-4H3/b13-10-
InChIKeySOVVZFXXGZBNBK-RAXLEYEMSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.01
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate with MolForge

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Related Compounds

ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate
CID 134881606
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]prop-2-enoate
CID 23254199
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfinyl]prop-2-enoate
CID 23254194
dimethyl 2-[ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-lambda4-sulfanylidene]propanedioate
CID 15249281
methyl 2-[(R)-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfinyl]prop-2-enoate
CID 11129892
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
(1R,2R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 131173336
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
[(1R,2S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 174646583
(1S,2R,4R)-1-[[(1E,3E)-4-methoxybuta-1,3-dienyl]sulfinylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 102518557
(E)-3-[[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylselanyl]prop-2-enoic acid
CID 100922161

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate?
The IUPAC name of methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate (CID 134881607) is methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate?
The canonical SMILES for methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate is CCC/C(=C/C(=O)OC)[Te]CC12CCC(CC1O)C2(C)C.
What is the InChIKey of methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate?
The InChIKey is SOVVZFXXGZBNBK-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H28O3Te/c1-5-6-13(10-15(19)20-4)21-11-17-8-7-12(9-14(17)18)16(17,2)3/h10,12,14,18H,5-9,11H2,1-4H3/b13-10-.
What are the key properties of methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate?
methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate has a molecular weight of 408.01 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate is sourced from PubChem (CID 134881607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).